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ChemSpider 2D Image | Glycine | C2H5NO2

Glycine

  • Molecular FormulaC2H5NO2
  • Average mass75.067 Da
  • Monoisotopic mass75.032028 Da
  • ChemSpider ID730

More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

200-272-2 [EINECS]
2-Aminoacetic acid [ACD/IUPAC Name]
56-40-6 [RN]
Acetic acid, amino-
Acide aminoacetique [French] [INN]
Acido aminoacetico [Spanish] [INN]
amino-Acetic acid
Aminoacetic acid
Aminoessigsäure [German]
Aminoethanoic acid
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3287 [DBID]
CHEBI:57305 [DBID]
MB7600000 [DBID]
MFCD00008131 [DBID]
TE7660XO1C [DBID]
UNII-TE7660XO1C [DBID]
15527_RIEDEL [DBID]
33226_RIEDEL [DBID]
410225_SIAL [DBID]
50046_FLUKA [DBID]
More...
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      White crystalline powder; odourless Food and Agriculture Organization of the United Nations Glycine
      white powder OU Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Combustible. Incompatible with strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details
    • Toxicity:

      Organic Compound; Amine; Drug; Food Toxin; Dietary Supplement; Micronutrient; Metabolite; Nutraceutical; Household Toxin; Animal Toxin; Natural Compound; Supplement; Non-Essential Amino Acid; Glycine Agent Toxin, Toxin-Target Database T3D4318
      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mg kg-1, SCU-RAT LD50 5200 mg kg-1, IVN-RAT LD50 2600 mg kg-1, ORL-MUS LD50 4920 mg kg-1 OU Chemical Safety Data (No longer updated) More details
    • Safety:

      B05CX03 Wikidata Q620730
      CAUTION: May be harmful if swallowed Alfa Aesar 36435, 43497
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar 36435, A13816
      Minimize contact. OU Chemical Safety Data (No longer updated) More details
      WARNING: Irreversible damage risk, protect skin/eyes/lungs. Alfa Aesar A13816
    • Chemical Class:

      An <locant>alpha</locant>-amino-acid radical derived from glycine. ChEBI CHEBI:15428, CHEBI:32721, CHEBI:57305
      An alpha-amino-acid radical derived from glycine. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32721, CHEBI:32721
      An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of glycine. ChEBI CHEBI:15428, CHEBI:32721, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:57305, CHEBI:57305
      Non-phenolic metabolites Phenol-Explorer 1062
      The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15428, CHEBI:15428, CHEBI:32721, CHEBI:57305
    • Bio Activity:

      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB0299
      Endogenous potentiator, co-transmitter Tocris Bioscience 0219, 219
      Glutamate (Ionotropic) Receptors Tocris Bioscience 219
      Inhibitory neurotransmitter, NMDA receptor co-agonist Hello Bio HB0299
      Inhibitory neurotransmitter. Also acts as NMDA receptor co-agonist. Prevents Ca<sup>2+</sup>-independent receptor desensitization. Hello Bio HB0299
      Ion Channels Tocris Bioscience 219
      Ion channels/Ligand-gated ion channel/Ionotropic glutamate receptors/NMDA Hello Bio HB0299
      Ligand-gated Ion Channels Tocris Bioscience 219
      One of the major inhibitory neurotransmitters in the mammalian CNS, predominantly active in the spinal cord and brain stem. Also acts as a modulator of excitatory amino acid transmission mediated by N MDA receptors. Also available as part of the NMDA Receptor - Glycine Site Tocriset™. Tocris Bioscience 0219
      One of the major inhibitory neurotransmitters in the mammalian CNS, predominantly active in the spinal cord and brain stem. Also acts as a modulator of excitatory amino acid transmission mediated by NMDA receptors. Also available as part of the NMDA Receptor - Glycine Site Tocriset?. Tocris Bioscience 219
  • Gas Chromatography

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 240.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 52.6±6.0 kJ/mol
Flash Point: 99.5±22.6 °C
Index of Refraction: 1.461
Molar Refractivity: 16.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -3.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 6.5±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 59.9±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                        
 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




                    

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