The 3-(1-Aminoethyl)benzonitrile, with the CAS registry number 153994-67-3, has the molecular formula C9H10N2. In addition, this chemical's molecular weight is 146.1891. Its systematic name is called 3-(1-aminoethyl)benzonitrilato.
Physical properties of 3-(1-Aminoethyl)benzonitrile: (1)ACD/LogP: 1.18; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.557; (10)Molar Refractivity: 44.176 cm3; (11)Molar Volume: 137.167 cm3; (12)Surface Tension: 46.961 dyne/cm; (13)Density: 1.066 g/cm3; (14)Flash Point: 105.817 °C; (15)Enthalpy of Vaporization: 48.866 kJ/mol; (16)Boiling Point: 251.357 °C at 760 mmHg; (17)Vapour Pressure: 0.021 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NC(C)c1cccc(C#N)c1
(2)InChI: InChI=1/C9H10N2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5,7H,11H2,1H3
(3)InChIKey: UTDRNGQVIRUPOC-UHFFFAOYAE
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