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Substance Name: Acetic acid, propylnitrosaminomethyl ester
RN: 66017-91-2
InChIKey: UNJDFDOOIZHAPH-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C6-H12-N2-O3

Molecular Weight

  • 160.172
 
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Names and Synonyms

Synonyms

  • (Nitrosopropylamino)methyl acetate
  • Acetic acid, (nitrosopropylamino)methyl ester
  • Acetoxymethylpropylnitrosamine
  • BRN 2247862
  • CCRIS 537
  • Methanol, (nitrosopropylamino)-, acetate (ester)
  • N-(Acetoxy)methyl-N-n-propylnitrosamine
  • N-Nitroso-N-(1-acetoxymethyl)propyl amine
  • N-Nitroso-N-(acetoxy)methyl-N-n-propylamine
  • N-Propyl-N-(acetoxymethyl)nitrosamine
  • PAMN
  • Propyl acetoxymethylnitrosamine
  • Propylamine, N-(1-acetoxymethyl)-N-nitroso-
  • Propylnitrosaminomethyl acetate

Systematic Names

  • Acetic acid, propylnitrosaminomethyl ester
  • N-Propyl-N-(acetoxymethyl)nitrosamine

Registry Numbers

CAS Registry Number

  • 66017-91-2

System Generated Number

  • 0066017912

Structure Descriptors

InChI

1S/C6H12N2O3/c1-3-4-8(7-10)5-11-6(2)9/h3-5H2,1-2H3

InChIKey

UNJDFDOOIZHAPH-UHFFFAOYSA-N

Smiles

N(COC(C)=O)(CCC)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1gm/kg (1000mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LIVER: OTHER CHANGES

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH
Zeitschrift fuer Krebsforschung und Klinische Onkologie. Vol. 91, Pg. 317, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.030 (none)   EST
Water Solubility 8950 mg/L 25 EST
Vapor Pressure 9.26E-03 mm Hg 25 EST
Henry's Law Constant 1.72E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.59E-11 cm3/molecule-sec 25 EST

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