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136982-36-0

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Basic Information
CAS No.: 136982-36-0
Name: 3-[(2-METHOXYBENZYL)AMINO]-2-PHENYL-PIPERIDINE
Article Data: 14
Molecular Structure:
Molecular Structure of 136982-36-0 (3-[(2-METHOXYBENZYL)AMINO]-2-PHENYL-PIPERIDINE)
Formula: C19H24N2O
Molecular Weight: 296.412
Synonyms: 3-Piperidinamine,N-[(2-methoxyphenyl)methyl]-2-phenyl-, (2S-cis)-;(2S,3S)-3-(2-Methoxybenzylamino)-2-phenylpiperidine;CP 99994;
Density: 1.1 g/cm3
Boiling Point: 438.5 °C at 760 mmHg
Flash Point: 186.2 °C
PSA: 33.29000
LogP: 3.99780
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Specification

The CAS registry number of 3-Piperidinamine,N-[(2-methoxyphenyl)methyl]-2-phenyl-,(2S,3S)- is 136982-36-0. The IUPAC name is (2S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine. In addition, the molecular formula is C19H24N2O and the molecular weight is 296.41. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 3-Piperidinamine,N-[(2-methoxyphenyl)methyl]-2-phenyl-,(2S,3S)- are: (1)ACD/LogP: 3.13; (2)ACD/LogD (pH 5.5): -0.35; (3)ACD/LogD (pH 7.4): 0.76; (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): 5.11; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 15.71 Å2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 90.82 cm3; (14)Molar Volume: 268.2 cm3; (15)Polarizability: 36 ×10-24cm3; (16)Surface Tension: 46.2 dyne/cm; (17)Density: 1.1 g/cm3; (18)Flash Point: 186.2 °C; (19)Enthalpy of Vaporization: 69.53 kJ/mol; (20)Boiling Point: 438.5 °C at 760 mmHg; (21)Vapour Pressure: 6.89E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1c(cccc1)CNC3[C@H](c2ccccc2)NCCC3)C
(2)InChI: InChI=1/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17?,19-/m0/s1
(3)InChIKey: DTQNEFOKTXXQKV-NNBQYGFHBP