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Substance Name: N-Nitrosoheptamethyleneimine
RN: 20917-49-1
UNII: 0VCF90A5FP
InChIKey: RCFKQVLHWYOSFF-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C7-H14-N2-O

Molecular Weight

  • 142.201
 
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Names and Synonyms

Name of Substance

  • N-Nitrosoheptamethyleneimine

Synonyms

  • 5-20-04-00167 (Beilstein Handbook Reference)
  • BRN 1562771
  • CCRIS 467
  • N-Nitrosoazacyclooctane
  • N-Nitrosoheptamethyleneimine
  • N-Nitrosooktahydroazocin
  • N-Nitrosooktahydroazocin [Czech]
  • NHMI
  • Nitroso-heptamethylenimin
  • Nitroso-heptamethylenimin [German]
  • Nitrosoheptamethyleneimine
  • Octahydro-1-nitrosoazocine
  • UNII-0VCF90A5FP

Systematic Names

  • Azocine, octahydro-1-nitroso-
  • N-Nitrosoheptamethyleneimine

Registry Numbers

CAS Registry Number

  • 20917-49-1

FDA UNII

  • 0VCF90A5FP

System Generated Number

  • 0020917491

Structure Descriptors

InChI

1S/C7H14N2O/c10-8-9-6-4-2-1-3-5-7-9/h1-7H2

InChIKey

RCFKQVLHWYOSFF-UHFFFAOYSA-N

Smiles

N1(CCCCCCC1)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 subcutaneous 220mg/kg (220mg/kg) BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)"

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
JNCI, Journal of the National Cancer Institute. Vol. 61, Pg. 239, 1978.
rat LD50 oral 283mg/kg (283mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"
Proceedings of the Society for Experimental Biology and Medicine. Vol. 130, Pg. 945, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.48 (none)   EXP
Water Solubility 4460 mg/L 25 EST
Vapor Pressure 0.017 mm Hg 25 EST
Henry's Law Constant 3.74E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.84E-11 cm3/molecule-sec 25 EST

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