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Basic Information
CAS No.: 64005-62-5
Name: N-amyl-N-nitrosourethane
Molecular Structure:
Molecular Structure of 64005-62-5 (N-amyl-N-nitrosourethane)
Formula: C8H16 N2 O3
Molecular Weight: 188.26
Synonyms: Carbamicacid, nitrosopentyl-, ethyl ester (9CI); N-Amyl-N-nitrosourethane;N-Nitroso-N-amylurethane
Density: 1.06g/cm3
Boiling Point: 227.5°Cat760mmHg
Flash Point: 91.4°C
Safety: Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. See also ESTERS. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
PSA: 58.97000
LogP: 2.31650
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Chemistry

Molecule structure of N-Amyl-N-nitrosourethane (CAS NO.64005-62-5):

IUPAC Name: Ethyl N-nitroso-N-pentylcarbamate 
Molecular Weight: 188.22424 g/mol
Molecular Formula: C8H16N2O3 
Density: 1.06 g/cm3 
Boiling Point: 227.5 °C at 760 mmHg 
Flash Point: 91.4 °C
Index of Refraction: 1.469
Molar Refractivity: 49.14 cm3
Molar Volume: 176.1 cm3
Polarizability: 19.48×10-24 cm3
Surface Tension: 36.3 dyne/cm 
Enthalpy of Vaporization: 46.41 kJ/mol
Vapour Pressure: 0.0771 mmHg at 25 °C
XLogP3-AA: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Exact Mass: 188.116092
MonoIsotopic Mass: 188.116092
Topological Polar Surface Area: 59
Heavy Atom Count: 13
Complexity: 162
Canonical SMILES: CCCCCN(C(=O)OCC)N=O
InChI: InChI=1S/C8H16N2O3/c1-3-5-6-7-10(9-12)8(11)13-4-2/h3-7H2,1-2H3
InChIKey: QKACYYADMAYIDQ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

cyt-ham:fbr 63 mg/L/48 H

     MUREAV    Mutation Research. 48 (1977),337.

Safety Profile

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

Specification

 N-Amyl-N-nitrosourethane (CAS NO.64005-62-5) is also named as CCRIS 1375 ; Carbamic acid, N-nitroso-N-pentyl-, ethyl ester ; Nitrosopentylcarbamic acid, ethyl ester . N-Amyl-N-nitrosourethane (CAS NO.64005-62-5) is toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.