4-Benzylpiperazine-1-carbonyl chloride (63763-66-6)

The 4-Benzylpiperazine-1-carbonyl chloride, with the CAS registry number 63763-66-6, is also known as 1-Piperazinecarbonyl chloride, 4-(phenylmethyl)-. This chemical's molecular formula is C₁₂H₁₅ClN₂O and molecular weight is 238.71. What's more, both its IUPAC name and systematic name are the same which is called 4-Benzylpiperazine-1-carbonyl chloride. And it always used in medicine and pesticide intermediates.

Physical properties about 4-Benzylpiperazine-1-carbonyl chloride are: (1) ACD/LogP: 1.44; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.1; (4) ACD/LogD (pH 7.4): 1.43; (5) ACD/BCF (pH 5.5): 3.32; (6) ACD/BCF (pH 7.4): 7.15; (7) ACD/KOC (pH 5.5): 65.8; (8) ACD/KOC (pH 7.4): 141.65; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 23.55 Å²; (13) Index of Refraction: 1.579; (14) Molar Refractivity: 64.16 cm³; (15) Molar Volume: 193 cm³; (16) Surface Tension: 49.2 dyne/cm; (17) Density: 1.236 g/cm³; (18) Flash Point: 171.4 °C; (19) Enthalpy of Vaporization: 60.54 kJ/mol; (20) Boiling Point: 359.8 °C at 760 mmHg; (21) Vapour Pressure: 2.32E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)N2CCN(Cc1ccccc1)CC2
(2) InChI: InChI=1/C12H15ClN2O/c13-12(16)15-8-6-14(7-9-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2
(3) InChIKey: DPTCOFHATGDORM-UHFFFAOYAN