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5350-17-4

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Basic Information
CAS No.: 5350-17-4
Name: Di-sec-butylnitrosamine
Article Data: 1
Molecular Structure:
Molecular Structure of 5350-17-4 (Di-sec-butylnitrosamine)
Formula: C8H18N2O
Molecular Weight: 158.28
Synonyms: DI-sec-BUTYLAMINE,N-NITROSO;Di-sec-butylnitrosamine;Nitrosodi-sec-butylamine;N-Nitroso-di-sec-butylamin;Disek.-butylnitrosamin;2-Butanamine,N-(1-methylpropyl)-N-nitroso;
Density: 0.92g/cm3
Boiling Point: 237.7°C at 760 mmHg
Flash Point: 97.5°C
Safety: Questionable carcinogen with experimental tumorigenic data. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS and AMINES.
PSA: 32.67000
LogP: 2.56680
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Chemistry

Empirical Formula of Di-sec-butylnitrosamine (CAS NO.5350-17-4): C8H18N2O
Molecular Weight: 158.2413 
Index of Refraction: 1.458
Density: 0.92 g/cm3
Flash Point: 97.5 °C
Enthalpy of Vaporization: 45.53 kJ/mol
Boiling Point: 237.7 °C at 760 mmHg
Vapour Pressure: 0.0681 mmHg at 25 °C
Structure of Di-sec-butylnitrosamine (CAS NO.5350-17-4):
                      
IUPAC Name: N,N-Di(butan-2-yl)nitrous amide
Canonical SMILES: CCC(C)N(C(C)CC)N=O
InChI: InChI=1S/C8H18N2O/c1-5-7(3)10(9-11)8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKey: FXKDQKMIRMWEBC-UHFFFAOYSA-N

Safety Profile

Questionable carcinogen with experimental tumorigenic data. Many N-nitroso compounds are carcinogens. When heated to decomposition Di-sec-butylnitrosamine (CAS NO.5350-17-4) emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS and AMINES.

Specification

 Di-sec-butylnitrosamine , its cas register number is 5350-17-4. It also can be called 2-Butanamine, N-(1-methylpropyl)-N-nitroso- (9CI) ; Nitrosodi-sec-butylamine ; and Di-sec-butylamine, N-nitroso- .