The Benzeneethanamine,N-phenyl-, with the CAS registry number 1739-00-0, is also known as N-Phenylbenzeneethaneamine. This chemical's molecular formula is C14H15N and molecular weight is 197.2756. Its systematic name is called N-(2-Phenylethyl)aniline.
Physical properties of Benzeneethanamine,N-phenyl-: (1)ACD/LogP: 3.69; (2)ACD/LogD (pH 5.5): 3.61; (3)ACD/LogD (pH 7.4): 3.69; (4)ACD/BCF (pH 5.5): 310.34; (5)ACD/BCF (pH 7.4): 374.12; (6)ACD/KOC (pH 5.5): 2003.84; (7)ACD/KOC (pH 7.4): 2415.7; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 64.98 cm3; (13)Molar Volume: 186 cm3; (14)Surface Tension: 43.5 dyne/cm; (15)Density: 1.06 g/cm3; (16)Flash Point: 178.7 °C; (17)Enthalpy of Vaporization: 59.8 kJ/mol; (18)Boiling Point: 353.1 °C at 760 mmHg; (19)Vapour Pressure: 3.67E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccccc1)CCc2ccccc2
(2)InChI: InChI=1/C14H15N/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1-10,15H,11-12H2
(3)InChIKey: REUFZACIJMPYOK-UHFFFAOYAG
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