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10339-31-8

Basic Information
CAS No.: 10339-31-8
Name: nitraminoacetic acid
Molecular Structure:
Molecular Structure of 10339-31-8 (nitraminoacetic acid)
Formula: C2H4 N2 O4
Molecular Weight: 120.065
Synonyms: Glycine,N-nitro- (7CI,8CI,9CI)
Density: 1.543g/cm3
Melting Point: 106°C
Boiling Point: 349.7°Cat760mmHg
Flash Point: 165.3°C
Safety: Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS.
PSA: 95.15000
LogP: -0.23360
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Chemistry

Product Name: Nitraminoacetic acid (CAS NO.10339-31-8)


Molecular Formula: C2H4N2O4
Molecular Weight: 120.08g/mol
Mol File: 10339-31-8.mol
Boiling point: 349.7 °C at 760 mmHg
Flash Point: 165.3 °C
Density: 1.543 g/cm3
Surface Tension: 64 dyne/cm
Enthalpy of Vaporization: 65.28 kJ/mol
Vapour Pressure: 8E-06 mmHg at 25°C
XLogP3-AA: 0.1
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of Nitraminoacetic acid (CAS NO.10339-31-8):
  IUPAC Name: 2-nitramidoacetic acid  
  Canonical SMILES: C(C(=O)O)N[N+](=O)[O-]
  InChI: InChI=1S/C2H4N2O4/c5-2(6)1-3-4(7)8/h3H,1H2,(H,5,6) 
  InChIKey: MJHPFRRMGOFOJL-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 43mg/kg (43mg/kg)   Journal of Antibiotics. Vol. 21, Pg. 279, 1968.
mouse LD50 intravenous 32mg/kg (32mg/kg)   Journal of Antibiotics. Vol. 21, Pg. 279, 1968.
mouse LD50 oral 40mg/kg (40mg/kg)   Journal of Antibiotics. Vol. 21, Pg. 279, 1968.

Safety Profile

Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS.

Specification

 Nitraminoacetic acid , its CAS NO. is 10339-31-8, the synonyms are 4-04-00-03416 (Beilstein Handbook Reference) ; BRN 1812131 ; N-Nitroglicin ; N-Nitroglycine ; Glycine, N-nitro- .