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Substance Name: N,N-Diamylnitrosamine
RN: 13256-06-9
InChIKey: OELWBYBVFOLSTA-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C10-H22-N2-O

Molecular Weight

  • 186.2968
 
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Names and Synonyms

Name of Substance

  • N,N-Diamylnitrosamine

Synonyms

  • 4-04-00-03390 (Beilstein Handbook Reference)
  • BRN 1768102
  • CCRIS 1007
  • Di-n-amylnitrosamine
  • Di-n-pentylnitrosamine
  • Diamylnitrosamin
  • Diamylnitrosamin [German]
  • Diamylnitrosamine
  • Dipentylnitrosamine
  • Dipentylnitrosoamine
  • N,N,-Diamylnitrosamine
  • N-Nitrosodi-n-amylamine
  • N-Nitrosodi-n-pentylamine
  • Nitrosodi-N-pentylamine
  • NSC 73601

Systematic Names

  • 1-Pentanamine, N-nitroso-N-pentyl-
  • 1-Pentanamine, N-nitroso-N-pentyl- (9CI)
  • Dipentylamine, N-nitroso-
  • N,N-Dipentylnitrosamine

Registry Numbers

CAS Registry Number

  • 13256-06-9

System Generated Number

  • 0013256069

Structure Descriptors

InChI

1S/C10H22N2O/c1-3-5-7-9-12(11-13)10-8-6-4-2/h3-10H2,1-2H3

InChIKey

OELWBYBVFOLSTA-UHFFFAOYSA-N

Smiles

CCCCCN(CCCCC)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1750mg/kg (1750mg/kg)   Naturwissenschaften. Vol. 48, Pg. 134, 1961.
rat LD50 subcutaneous 3gm/kg (3000mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.86 (none)   EXP
Water Solubility 25.9 mg/L 25 EST
Vapor Pressure 1.98E-03 mm Hg 25 EST
Henry's Law Constant 1.98E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.97E-11 cm3/molecule-sec 25 EST

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