Glycine C2H5NO2 structure

C2H5NO2 structure
Molecular Formula C2H5NO2
Average mass 75.067 Da
Density 1.3±0.1 g/cm3
Boiling Point 240.9±23.0 °C at 760 mmHg
Flash Point 99.5±22.6 °C
Molar Refractivity 16.4±0.3 cm3
Polarizability 6.5±0.5 10-24cm3
Surface Tension 54.4±3.0 dyne/cm
Molar Volume 59.9±3.0 cm3
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy
      [NC-30274]
      White crystalline powder; odourless Food and Agriculture Organization of the United Nations Glycine
      white powder Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Combustible. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details
    • 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SCU-RAT LD50 5200 mg kg-1, IVN-RAT LD50 2600 mg kg-1, ORL-MUS LD50 4920 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      20/21/22 Novochemy
      [NC-30274]
      20/21/36/37/39 Novochemy
      [NC-30274]
      CAUTION: May be harmful if swallowed Alfa Aesar 36435, 43497
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar 36435, A13816
      GHS07; GHS09 Novochemy
      [NC-30274]
      H304; H403 Novochemy
      [NC-30274]
      Minimize contact. Oxford University Chemical Safety Data (No longer updated) More details
      P261; P262 Biosynth Q-201300
      P305+P351+P338; P376; P270 Novochemy
      [NC-30274]
      R22 Novochemy
      [NC-30274]
      Warning Novochemy
      [NC-30274]
      WARNING: Irreversible damage risk, protect skin/eyes/lungs. Alfa Aesar A13816
    • Bio Activity:

      Endogenous potentiator, co-transmitter Tocris Bioscience 0219, 219
      Glutamate (Ionotropic) Receptors Tocris Bioscience 219
      Ion Channels Tocris Bioscience 219
      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

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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