Product Name

  • Name

    N-NITROSO-N-(ACETOXYMETHYL)PROPYLAMINE

  • EINECS
  • CAS No. 66017-91-2
  • Density 1.11g/cm3
  • Solubility
  • Melting Point
  • Formula C6H12N2O3
  • Boiling Point 267.5°C at 760 mmHg
  • Molecular Weight 160.173
  • Flash Point 115.6°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 66017-91-2 (N-NITROSO-N-(ACETOXYMETHYL)PROPYLAMINE)
  • Hazard Symbols
  • Synonyms N-Acetoxymethyl-N-nitrosopropylamin;N-n-Propyl-N-(acetoxymethyl)nitrosamin;(Nitrosopropylamino)methyl acetate;Propylnitrosaminomethyl acetate;Acetoxymethylpropylnitrosamine;Propyl acetoxymethylnitrosamine;Acetic acid,propylnitrosaminomethyl ester;(1-acetoxypropyl)propylnitrosamine;N-Propyl-N-(acetoxymethyl)nitrosamine;N-(Acetoxy)methyl-N-n-propylnitrosamine;
  • PSA 58.97000
  • LogP 0.90040

Propylnitrosaminomethyl acetate Chemical Properties

Molecule structure of Propylnitrosaminomethyl acetate (CAS NO.66017-91-2):

IUPAC Name: [Nitroso(propyl)amino]methyl acetate 
Molecular Weight: 160.17108 g/mol
Molecular Formula: C6H12N2O3 
Density: 1.11 g/cm3 
Boiling Point: 267.5 °C at 760 mmHg 
Flash Point: 115.6 °C
Index of Refraction: 1.467
Molar Refractivity: 39.92 cm3
Molar Volume: 143.8 cm3
Polarizability: 15.82×10-24 cm3
Surface Tension: 37.2 dyne/cm 
Enthalpy of Vaporization: 50.55 kJ/mol
Vapour Pressure: 0.00814 mmHg at 25 °C 
XLogP3-AA: 1.1
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Exact Mass: 160.084792
MonoIsotopic Mass: 160.084792
Topological Polar Surface Area: 59
Heavy Atom Count: 11
Complexity: 138
Canonical SMILES: CCCN(COC(=O)C)N=O
InChI: InChI=1S/C6H12N2O3/c1-3-4-8(7-10)5-11-6(2)9/h3-5H2,1-2H3
InChIKey of Propylnitrosaminomethyl acetate (CAS NO.66017-91-2): UNJDFDOOIZHAPH-UHFFFAOYSA-N

Propylnitrosaminomethyl acetate Toxicity Data With Reference

1.    

mmo-esc 1 µmol/plate

     GANNA2    Gann. Japanese Journal of Cancer Research. 71 (1980),124.
2.    

dns-rat:oth 10 µmol/L

     CBINA8    Chemico-Biological Interactions. 53 (1985),99.
3.    

orl-rat LD50:1000 mg/kg

     ZKKOBW    Zeitschrift fuer Krebsforschung und Klinische Onkologie. 91 (1978),317.

Propylnitrosaminomethyl acetate Safety Profile

Moderately toxic by ingestion. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.

Propylnitrosaminomethyl acetate Specification

 Propylnitrosaminomethyl acetate (CAS NO.66017-91-2) is also named as (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- .

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