The Molecular Structure of Allylhydrazine hydrochloride (CAS NO.52207-83-7):
Molecular Formula: C3H9ClN2
Molecular Weight: 108.569960 g/mol
IUPAC: prop-2-enylhydrazine hydrochloride
Nominal Mass: 108 Da
Average Mass: 108.57 Da
Monoisotopic Mass: 108.045426 Da
Classification: Tumor data
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -2.73
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 2.81
Polar Surface Area: 6.48Å2
Flash Point: 52.6 °C
Enthalpy of Vaporization: 39.45 kJ/mol
Boiling Point: 157.8 °C at 760 mmHg
Vapour Pressure: 2.71 mmHg at 25°C
InChI: InChI=1/C3H8N2.ClH/c1-2-3-5-4;/h2,5H,1,3-4H2;1H
Smiles: N(N)CC=C.Cl
Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also ALLYL COMPOUNDS.
Allylhydrazine hydrochloride (CAS NO.52207-83-7) is also called as Hydrazine, allyl-, monohydrochloride .
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