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Substance Name: 1-Nitroguanidine
RN: 556-88-7
UNII: NAY6KWL67F
InChIKey: IDCPFAYURAQKDZ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C-H4-N4-O2

Molecular Weight

  • 104.0686
 
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Names and Synonyms

Name of Substance

  • 1-Nitroguanidine
  • Nitroguanidine

Synonyms

  • 1-Nitroguanidine
  • 2-Nitroguanidine
  • AI3-16306
  • EC 209-143-5
  • EINECS 209-143-5
  • Guanidine, 1-nitro-
  • Guanidine, 1-nitro- (wet)
  • Guanidine, nitro-
  • HSDB 5693
  • N''-Nitroguanidine
  • N(1)-Nitroguanidine
  • Nitroguanidine
  • NSC 41036
  • Picrite
  • Picrite (the explosive)
  • UNII-NAY6KWL67F

Systematic Names

  • 1-Nitroguanidine
  • Guanidine, 1-nitro-
  • Guanidine, N-nitro-
  • Guanidine, nitro-

Superlist Names

  • 1-Nitroguanidine
  • Guanidine, nitro-
  • Nitroguanidine or picrite, dry or wetted with < 20% water, by mass
  • Nitroguanidine or picrite, dry or wetted with <20% water, by mass
  • Nitroguanidine or picrite, dry or wetted with <20% water, by mass [UN0282] [Explosive 1.1D]
  • Nitroguanidine, wetted or picrite, wetted with not <20% water, by mass
  • Nitroguanidine, wetted or picrite, wetted with not <20% water, by mass [UN1336] [Flammable solid]
  • UN0282
  • UN1336

Registry Numbers

CAS Registry Number

  • 556-88-7

FDA UNII

  • NAY6KWL67F

System Generated Number

  • 0000556887

Structure Descriptors

InChI

1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)

InChIKey

IDCPFAYURAQKDZ-UHFFFAOYSA-N

Smiles

C(=N)(N[N+](=O)[O-])N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 3120mg/kg (3120mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(1), Pg. 18, 1980.
mouse LD50 intraperitoneal 48mg/kg (48mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Pharmaceutical Chemistry Journal Vol. 10, Pg. 1504, 1976.
mouse LD50 oral 3850mg/kg (3850mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(1), Pg. 18, 1980.
rabbit LD skin > 2gm/kg (2000mg/kg)   National Technical Information Service. Vol. AD-A191-796,
rat LD50 oral 10200mg/kg (10200mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(1), Pg. 18, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 239 dec deg C   EXP
log P (octanol-water) -0.89 (none)   EXP
Water Solubility 4400 mg/L 25 EXP
Vapor Pressure 1.00E-09 mm Hg 25 EST
Henry's Law Constant 4.49E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.10E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.