InChI=1/CH5N/c1-2/h2H2,1H3

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Search term: BAVYZALUXZFZLV
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Inherent Properties, Identifiers and References

ChemSpider ID:	6089
Empirical Formula:	CH₅N
Molecular Weight:	31.0571
Nominal Mass:	31 Da
Average Mass:	31.0571 Da
Monoisotopic Mass:	31.042199 Da

Systematic Name:

methanamine

SMILES:

InChI:

InChI=1/CH5N/c1-2/h2H2,1H3

InChIKey:

BAVYZALUXZFZLV-UHFFFAOYAN

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Wikipedia Article(s)

Methylamine is the chemical compound with a formula of CH₃NH₂. It is a derivative of ammonia, wherein one H atom is replaced by a methyl group. It is the simplest primary amine. It is usually sold as solutions in methanol (2M), ethanol (8M), THF (2M), and water (40%), or as the anhydrous gas in pressurized metal containers. It has a strong odour similar to rotten fish. Methylamine is used as a building block for the synthesis of other organic compounds, including many illicit drugs; in the United States, the DEA lists methylamine as a precursor, and purchases of any significant quantity are likely to arouse law enforcement attention. Read more... or Edit at Wikipedia...

Original Reference(s)

Data Source	External ID(s)
UsefulChem	UC0197

Disclaimer (Details...)

Supplemental Information

Links & References

E. L. Willighagen, H. M. G. W. Denissen, R. Wehrens, and L. M. C. Buydens. On the Use of 1H and 13C 1D NMR Spectra as QSPR Descriptors, J. Chem. Inf. Model., 46 (2), 487-494, 2006

[PubMed: 16562976] [DOI: 10.1021/ci050282s]

User Data

experimental physchem properties

Melting Point: -38

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Melting Point: -93 C

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Boiling Point: 49

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Boiling Point: 21F

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Boiling Point: -6 C

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Flash Point: -14(6F)

The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point

Flash Point: NA (Gas) 14F (Liquid)

The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point

Flash Point: 8 C

The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point

Freezing Point: -136F

No description available

Specific Gravity: 0.899

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

Specific Gravity: 0.70 (Liquid at 13F)

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

Refraction Index: 1.3700

The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index

logP: -0.57

No description available

Solubility: Soluble

No description available

Ionization Potential: 8.97 eV

No description available

Vapor Pressure: 3.0 atm

No description available

miscellaneous

Appearance: Colorless gas with a fish- or ammonia-like odor. [Note: A liquid below 21F. Shipped as a liquefied compressed gas.]

Visual appearance of the given substance.

Appearance: colourless gas (or solution in water or methanol)

Visual appearance of the given substance.

Stability: Stable. Highly flammable. Note wide explosion limits. Incompatible with oxidizing agents,acids, alkalies, alkaline earth metals, copper and its alloys,zinc and its alloys.

Chemical stability occurs when a substance is in a (dynamic) chemical equilibrium with its environment. See also: Chemical Stability

Toxicity: ORL-RAT LD50 100 mg kg-1

Toxicity is the degree to which something is able to produce illness or damage to an exposed organism. See also: Toxicity and list of used abbreviations.

Safety: HIGHLY FLAMMABLE / HARMFUL / IRRITANT

See Chemical Safety

Safety: Safety glasses, good ventilation. Remove sources of ignitionfrom the working area.

See Chemical Safety

First Aid: Eye: Irrigate immediately (solution)/Frostbite Skin: Water flush immediately (solution)/Frostbite Breathing: Respiratory support Swallow: Medical attention immediately (solution)

No description available

Exposure Routes: inhalation, skin absorption (solution), ingestion (solution), skin and/or eye contact (solution/liquid)

No description available

Symptoms: Irritation eyes, skin, respiratory system; cough; skin, mucous membrane burns; dermatitis; conjunctivitis; liquid: frostbite

No description available

Target Organs: Eyes, skin, respiratory system

No description available

Incompatibilities and Reactivities: Mercury, strong oxidizers, nitromethane [Note: Corrosive to copper & zinc alloys, aluminum & galvanized surfaces.]

No description available

Personal protection and Sanitation: Skin: Prevent skin contact (solution)/Frostbite Eyes: Prevent eye contact (solution)/Frostbite Wash skin: When contaminated (solution) Remove: When wet (flammable) Change: No recommendation Provide: F rostbite wash

No description available

Exposure Limits: NIOSH REL : TWA 10 ppm (12 mg/m 3 ) OSHA PEL : TWA 10 ppm (12 mg/m 3 )

No description available

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

methylamine [Wiki]

Methylamine anhydrous

Mathylamine hydrochloride

methyl group

Methyl Of Gamma-N-Methylasparagine

Methylaminen [Dutch]

Metilamine [Italian]

Metyloamina [Polish]

NMA

NME

More...

Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

295531_ALDRICH

395048_ALDRICH

395056_SIAL

426466_SIAL

524603_ALDRICH

524611_ALDRICH

524638_ALDRICH

534102_ALDRICH

C00218

c0137

More...

Predicted Properties

LogP:	ACD/LogP: -0.66 XLogP: -0.60 ALOGPS: -1.34	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-3.76	ACD/LogD (pH 7.4):	-3.54
ACD/BCF (pH 5.5):	1	ACD/BCF (pH 7.4):	1
ACD/KOC (pH 5.5):	1	ACD/KOC (pH 7.4):	1
#H bond acceptors:	1	#H bond donors:	2
#Freely Rotating Bonds:	0	Polar Surface Area:	3.24 Å²
Index of Refraction:	1.34	Molar Refractivity:	10.21 cm³
Molar Volume:	48.7 cm³	Polarizability:	4.05 10^-24cm³
Surface Tension:	18.4 dyne/cm	Density:	0.637 g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	25.6 kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	3970 mmHg at 25°C

MeSH

MeSH Supplementary Concept Data

MeSH Heading	methylamine
Concept 1 (Preferred)	methylamine
	PubMed Term	methylamine
	PubMed Term	aminomethane
	PubMed Term	monomethylamine
	PubMed Term	methylamine bisulfite
	PubMed Term	methylamine hydrochloride, 14C-labeled
	PubMed Term	methylamine, 14C-labeled
	PubMed Term	methylamine, 15N-labeled
	PubMed Term	methylamine, cesium salt
	PubMed Term	methylamine hydrobromide
	PubMed Term	methylamine hydrochloride
	PubMed Term	methylamine hydrogen cyanide
	PubMed Term	methylamine hydrofluoride
	PubMed Term	methylamine hydroiodide
	PubMed Term	methylamine hydride
	PubMed Term	methylamine ion (1-)
	PubMed Term	methylammonium ion
	PubMed Term	methylammonium
	PubMed Term	monomethylammonium ion
	PubMed Term	methylamine, monopotassium salt
	PubMed Term	methylamine, monosodium salt
	PubMed Term	methylamine nitrate
	PubMed Term	methylamine perchlorate
	PubMed Term	methylamine sulfate (1:1)
	PubMed Term	methylamine sulfate (2:1)
	PubMed Term	methylamine, 13C-labeled
CAS Type 1 Name	methanamine
Registry Number	74-89-5
Heading Mapped to	*Methylamines
Frequency	899
Note	monovalent cation in pyruvate kinase catalysis; RN given refers to parent cpd

EPI Summary

            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -0.64
    Log Kow (Exper. database match) =  -0.57
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  10.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -98.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.3E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -93.4 deg C
    BP  (exp database):  -6.3 deg C
    VP  (exp database):  2.65E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -0.57 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.08e+006 mg/L (25 deg C)
        Exper. Ref:  SCHWEIZER,AE ET AL. (1978)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  1080000.00
       Exper. Ref:  SCHWEIZER,AE ET AL. (1978)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.58E-006  atm-m3/mole
   Group Method:   7.22E-006  atm-m3/mole
   Exper Database: 1.11E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.106E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.57  (exp database)
  Log Kaw used:  -3.343  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.773
      Log Koa (experimental database):  1.900

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8866
   Biowin2 (Non-Linear Model)     :   0.9753
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1550  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8462  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6534
   Biowin6 (MITI Non-Linear Model):   0.7964
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9338
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.53E+005 Pa (2.65E+003 mm Hg)
  Log Koa (Exp database): 1.900
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.49E-012 
       Octanol/air (Koa) model:  1.95E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.07E-010 
       Mackay model           :  6.79E-010 
       Octanol/air (Koa) model:  1.56E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.2648 E-12 cm3/molecule-sec
      Half-Life =     0.480 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.765 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.93E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10.74
      Log Koc:  1.031 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -0.57 (expkow database)

 Volatilization from Water:
    Henry LC:  1.11E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      29.96  hours   (1.249 days)
    Half-Life from Model Lake :      373.6  hours   (15.57 days)

 Removal In Wastewater Treatment:
    Total removal:               2.46  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.62  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.78            11.7         1000       
   Water     48.3            360          1000       
   Soil      49.9            720          1000       
   Sediment  0.0885          3.24e+003    0          
     Persistence Time: 319 hr