Product Name: 4-Hydroxybutyl-(2-propenyl)nitrosamine (CAS NO.61424-17-7)
Molecular Formula: C7H14N2O2
Molecular Weight: 158.23g/mol
Mol File: 61424-17-7.mol
Boiling point: 309 °C at 760 mmHg
Flash Point: 140.7 °C
Density: 1.02 g/cm3
Surface Tension: 37.6 dyne/cm
Enthalpy of Vaporization: 63.75 kJ/mol
Vapour Pressure: 5.95E-05 mmHg at 25°C
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 4-Hydroxybutyl-(2-propenyl)nitrosamine (CAS NO.61424-17-7):
IUPAC Name: N-(4-hydroxybutyl)-N-prop-2-enylnitrous amide
Canonical SMILES: C=CCN(CCCCO)N=O
InChI: InChI=1S/C7H14N2O2/c1-2-5-9(8-11)6-3-4-7-10/h2,10H,1,3-7H2
InChIKey: DGLIVTKBJCECAC-UHFFFAOYSA-N
Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx.
4-Hydroxybutyl-(2-propenyl)nitrosamine , its CAS NO. is 61424-17-7, the synonyms are 1-Butanol, 4-(nitroso-2-propenylamino)- ; 4-(Allylnitrosamino)-1-butanol ; BRN 2716345 ; 1-Butanol, 4-(allylnitrosamino)- .
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