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The Benzonitrile,3-hydrazinyl-, hydrochloride (1:1), with the CAS registry number 2881-99-4, is also known as 3-Hydrazinobenzonitrile hydrochloride (1:1). This chemical's molecular formula is C7H7N3.HCl and molecular weight is 169.61. Its systematic name is called (3-cyanophenyl)diazanium chloride.
Physical properties of Benzonitrile,3-hydrazinyl-, hydrochloride (1:1): (1)ACD/LogP: 1.36; (2)ACD/LogD (pH 5.5): 1.32; (3)ACD/LogD (pH 7.4): 1.36; (4)ACD/BCF (pH 5.5): 5.75; (5)ACD/BCF (pH 7.4): 6.32; (6)ACD/KOC (pH 5.5): 118.47; (7)ACD/KOC (pH 7.4): 130.16; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 136.2 °C; (12)Enthalpy of Vaporization: 54.17 kJ/mol; (13)Boiling Point: 301.5 °C at 760 mmHg; (14)Vapour Pressure: 0.00105 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].N#Cc1cc(N[NH3+])ccc1
(2)InChI: InChI=1/C7H7N3.ClH/c8-5-6-2-1-3-7(4-6)10-9;/h1-4,10H,9H2;1H
(3)InChIKey: OLRXCKFWRROJFZ-UHFFFAOYAI