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78471-44-0

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Basic Information
CAS No.: 78471-44-0
Name: 1-(4-CHLOROBENZYL)PIPERIDIN-4-AMINE TRIFLUOROACETATE
Article Data: 10
Molecular Structure:
Molecular Structure of 78471-44-0 (1-(4-CHLOROBENZYL)PIPERIDIN-4-AMINE TRIFLUOROACETATE)
Formula: C12H17ClN2
Molecular Weight: 224.733
Synonyms: 1-(4-Chlorobenzyl)-4-aminopiperidine;1-(4-Chlorobenzyl)-4-piperidinamine;1-(4-Chlorobenzyl)piperidin-4-ylamine;
Density: 1.15 g/cm3
Boiling Point: 311.6 °C at 760 mmHg
Flash Point: 142.2 °C
PSA: 66.56000
LogP: 3.53460
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Specification

The 4-Piperidinamine,1-[(4-chlorophenyl)methyl]-, with the CAS registry number 78471-44-0, has the systematic name 1-(4-chlorobenzyl)piperidin-4-amine. Its molecular formula is C12H17ClN2 and its molecular weight is 224.7298.

Other characteristics of the 4-Piperidinamine,1-[(4-chlorophenyl)methyl]- can be summarised as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.5; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 64.23 cm3; (15)Molar Volume: 195.3 cm3; (16)Polarizability: 25.46×10-24cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 142.2 °C; (20)Enthalpy of Vaporization: 55.25 kJ/mol; (21)Boiling Point: 311.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000559 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1ccc(cc1)CN2CCC(N)CC2
2.InChI: InChI=1/C12H17ClN2/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15/h1-4,12H,5-9,14H2
3.InChIKey: BIMZLZOTBSPLRM-UHFFFAOYAQ