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851014-13-6

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Basic Information
CAS No.: 851014-13-6
Name: 1-Benzyl-3-isopropylpiperazine
Molecular Structure:
Molecular Structure of 851014-13-6 (1-Benzyl-3-isopropylpiperazine)
Formula: C14H22N2
Molecular Weight: 218.342
Synonyms: 1-Benzyl-3-isopropylpiperazine;324748-62-1 [RN];
Density: 0.975 g/cm3
Boiling Point: 309.596 °C at 760 mmHg
Flash Point: 112.796 °C
PSA: 15.27000
LogP: 2.38310
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Specification

The Piperazine, 3-(1-methylethyl)-1-(phenylmethyl)-, with CAS registry number of 851014-13-6, is also known as 1-Benzyl-3-isopropylpiperazine. Its systematic name is 1-Benzyl-3-(propan-2-yl)piperazine. Its molecular formula is C14H22N2, and its molecular weight is 218.3379.

Physical properties about Piperazine, 3-(1-methylethyl)-1-(phenylmethyl)- are: (1) ACD/LogP: 2.48; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 7.4): 1; (4) ACD/BCF (pH 5.5): 1; (5) ACD/BCF (pH 7.4): 1; (6) ACD/KOC (pH 5.5): 1; (7) ACD/KOC (pH 7.4): 10; (8) # H bond acceptors: 2; (9) # H bond donors: 1; (10) # Freely Rotating Bonds: 3; (11) Polar Surface Area: 15.27 Å2; (12) Index of Refraction: 1.523; (13) Molar Refractivity: 68.393 cm3; (14) Molar Volume: 223.961 cm3; (15) Polarizability: 27.113×10-24 cm3; (16) Surface Tension: 35.113 dyne/cm; (17) Density: 0.975 g/cm3; (18)Flash Point: 112.796 °C; (19) Enthalpy of Vaporization: 55.036 kJ/mol; (20)Boiling Point: 309.596 °C at 760 mmHg; (21) Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)C2CN(Cc1ccccc1)CCN2
(2) InChI: InChI=1/C14H22N2/c1-12(2)14-11-16(9-8-15-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3
(3) InChIKey: HPOGZEGDXGTDSX-UHFFFAOYAJ