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| Name |
Propylnitrosaminomethyl acetate |
EINECS | N/A |
| CAS No. | 66017-91-2 | Density | 1.11g/cm3 |
| PSA | 58.97000 | LogP | 0.90040 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H12N2O3 | Boiling Point | 267.5°C at 760 mmHg |
| Molecular Weight | 160.173 | Flash Point | 115.6°C |
| Transport Information | N/A | Appearance | N/A |
| 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 | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
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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