InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)

1 hit(s) found in 0.90 seconds
Search term: C2H5NO2
Found by empirical formula

Inherent Properties, Identifiers and References

ChemSpider ID:	730
Empirical Formula:	C₂H₅NO₂
Molecular Weight:	75.0666
Nominal Mass:	75 Da
Average Mass:	75.0666 Da
Monoisotopic Mass:	75.032028 Da

Systematic Name:

2-aminoacetic acid

SMILES:

O=C(O)CN

InChI:

InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)

InChIKey:

DHMQDGOQFOQNFH-UHFFFAOYAW

License

Wikipedia Article(s)

Glycin, or N-(4-hydroxyphenyl)glycine, is N-substituted p-aminophenol. It is a photographic developing agent used in classic B&W developer solutions.Photographic Chemical Descriptions It is a derivative of the amino acid glycine. When fresh, it is typically characterized as thin plates of white or silvery powder, turning brown with age. It is sparingly soluble in water and most organic solvents; it is readily soluble in alkalies and acids. Glycin is related to p-aminophenol and Metol. Compared to Metol, glycin has a carboxyl group attached to the methyl group of the Metol. This weakens the reduction potential of the compound and therefore Metol is superior as a developing agent. Glycin is rarely used as a developing agent today, primarily because of the reason above, and it is expensive and manufactured for specialty applications only. It also has limited shelf life compared to Metol and Phenidone. Glycin can be synthesized by a number of ways. One method is to react p-aminophenol with chloracetic acid in a solvent and purify glycin. Other uses of glycin can be found in some procedures of analytical chemistry. Read more... or Edit at Wikipedia...

Glycine (abbreviated as Gly or G) is the organic compound with the formula NH₂CH₂COOH. It is the smallest of the 20 amino acids commonly found in proteins, coded by codons GGU, GGC, GGA and GGG. Because it has specialized structural properties in protein architecture, this compact amino acid is often evolutionarily conserved. For example, cytochrome c, myoglobin, and hemoglobin all contain conserved glycines. Glycine is unique among the proteinogenic amino acids in that is not chiral. Most proteins contain only small quantities of glycine. A notable exception is collagen, which contains about 35% glycine. In its solid, i.e., crystallized, form, glycine is a free-flowing, sweet-tasting crystalline material. Read more... or Edit at Wikipedia...

Original Reference(s)

Data Source	External ID(s)
UsefulChem	UC0048

Disclaimer (Details...)

Supplemental Information

Links & References

Jenkins et al.. A New Thiamin Salvage Pathway., Nature Chemical Biology, doi: 10.1038/NChemBio.2007.13, published online 8 July 2007.

[DOI: 10.1038/NChemBio.2007.13]

User Data

experimental physchem properties

Melting Point: ca 245 dec.

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: ca 245 dec.

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: ca 245 dec.

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: ca. 240 C (decomposes)

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

Specific Gravity: 1.161

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: 1.161

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: 1.161

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

miscellaneous

Appearance: White crystalline powder; odourless

Visual appearance of the given substance.

Appearance: white powder

Visual appearance of the given substance.

Stability: Stable. Combustible. Incompatible with strong oxidizing agents.

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

Toxicity: ORL-RAT LD50 7930 mg kg-1, SCU-RAT LD50 5200 mg kg-1, IVN-RAT LD50 2600 mg kg-1, ORL-MUS LD50 4920 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: CAUTION: May irritate eyes, skin, and respiratory tract

See Chemical Safety

Safety: CAUTION: May be harmful if swallowed

See Chemical Safety

Safety: CAUTION: May be harmful if swallowed

See Chemical Safety

Safety: Minimize contact.

See Chemical Safety

Names and Synonyms

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

225-518-6 [EINECS/ELINCS]

2-aminoacetic acid

4896-77-9 [RN]

acide aminoacétique

amino-Acetic acid

Aminoessigsäure

Glycine [Wiki]

Glycyl alcohol

polyglycine

2-Aminoacetate

More...

Database ID(s)

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

15527_RIEDEL

33226_RIEDEL

410225_SIAL

50046_FLUKA

AB-131/40217813

AI3-04085

AIDS071643

AIDS-071643

C00037

CCRIS 5915

More...

Predicted Properties

LogP:	ACD/LogP: -1.03 XLogP: -3.40 ALOGPS: -3.34	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-3.53	ACD/LogD (pH 7.4):	-3.53
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:	3	#H bond donors:	3
#Freely Rotating Bonds:	2	Polar Surface Area:	29.54 Å²
Index of Refraction:	1.46	Molar Refractivity:	16.41 cm³
Molar Volume:	59.8 cm³	Polarizability:	6.5 10^-24cm³
Surface Tension:	54.4 dyne/cm	Density:	1.254 g/cm³
Flash Point:	99.5 °C	Enthalpy of Vaporization:	52.63 kJ/mol
Boiling Point:	240.9 °C at 760 mmHg	Vapour Pressure:	0.0123 mmHg at 25°C

MeSH

MeSH Descriptor Data

MeSH Heading	Glycine
Concept 1 (Preferred)	Glycine
	Scope Note	A non-essential amino acid. It is found primarily in gelatin and silk fibroin and used therapeutically as a nutrient. It is also a fast inhibitory neurotransmitter.
	Term	Glycine
	Term	Aminoacetic Acid
Allowable Qualifiers	AD AE AA AN AI BI BL CF CS CL DF DU DE EC GE HI IM IP ME PK PD PH PO RE SE ST SD TU TO UR CH CT AG
Pharm. Action	Glycine Agents
Registry Number	56-40-6

MeSH Supplementary Concept Data

MeSH Heading	polyglycine
Concept 1 (Preferred)	polyglycine
	PubMed Term	polyglycine
	PubMed Term	polyglycine II
Registry Number	25718-94-9
Heading Mapped to	*Peptides
Frequency	90
Note	dimorphic in solid state existing as beta sheet structure (PG I) or as 3(1) helices (PG II)

MeSH Tree Structures

Amino Acids, Peptides, and Proteins [D12]
- Amino Acids [D12.125]
  - Glycine [D12.125.481]

EPI Summary

            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -3.41
    Log Kow (Exper. database match) =  -3.21
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  375.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  246.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.19E-008  (Modified Grain method)
    MP  (exp database):  262 dec deg C
    Subcooled liquid VP: 3.22E-005 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.256e+005
       log Kow used: -3.21 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2.49e+005 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.6956e+005 mg/L
    Wat Sol (Exper. database match) =  249000.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.12E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.293E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -3.21  (exp database)
  Log Kaw used:  -7.339  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.129
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9383
   Biowin2 (Non-Linear Model)     :   0.9758
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4223  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1683  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7527
   Biowin6 (MITI Non-Linear Model):   0.8373
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2261
 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):  0.00429 Pa (3.22E-005 mm Hg)
  Log Koa (Koawin est  ): 4.129
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000699 
       Octanol/air (Koa) model:  3.3E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0246 
       Mackay model           :  0.0529 
       Octanol/air (Koa) model:  2.64E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.0347 E-12 cm3/molecule-sec
      Half-Life =     0.382 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.578 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0388 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1
      Log Koc:  0.000 

 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: -3.21 (expkow database)

 Volatilization from Water:
    Henry LC:  1.12E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.529E+005  hours   (1.887E+004 days)
    Half-Life from Model Lake : 4.941E+006  hours   (2.059E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0412          9.16         1000       
   Water     34.7            208          1000       
   Soil      65.2            416          1000       
   Sediment  0.06            1.87e+003    0          
     Persistence Time: 381 hr

Spectra

Type: HNMR

Associated Hyperlink: http://mmcd.nmrfam.wisc.edu/rawnmr/expnmr_00057_1.tar

Comments: Madison Metabolomics Consortium Database Spectrum, Q. Cui, et al; "Metabolite identification via the Madison Metabolomics Consortium Database", Nature Biotechnology, 26,162 (2008)

Load Spectrum

Type: CNMR

Associated Hyperlink: http://mmcd.nmrfam.wisc.edu/rawnmr/expnmr_00057_3.tar

Comments: Madison Metabolomics Consortium Database Spectrum, Q. Cui, et al; "Metabolite identification via the Madison Metabolomics Consortium Database", Nature Biotechnology, 26,162 (2008)

Load Spectrum