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6582-22-5

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Basic Information
CAS No.: 6582-22-5
Name: 2-(4-METHYLPHENYL)-2-PHENYLETHYLAMINE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 6582-22-5 (2-(4-METHYLPHENYL)-2-PHENYLETHYLAMINE HYDROCHLORIDE)
Formula: C15H18ClN
Molecular Weight: 247.76
Synonyms: Benzeneethanamine,4-methyl-β-phenyl-, hydrochloride (9CI);Phenethylamine, p-methyl-β-phenyl-, hydrochloride (6CI,7CI,8CI);
Boiling Point: 365.8 °C at 760 mmHg
Flash Point: 175 °C
PSA: 26.02000
LogP: 4.58790
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Specification

The Benzeneethanamine, 4-methyl-b-phenyl-, hydrochloride (1:1), with the CAS registry number 6582-22-5, is also known as Benzeneethanamine, 4-methyl-β-phenyl-, hydrochloride (9CI). This chemical's molecular formula is C15H18ClN and molecular weight is 247.76. What's more, its IUPAC name is 2-(4-Methylphenyl)-2-phenylethanamine hydrochloride.

Physical properties about Benzeneethanamine, 4-methyl-b-phenyl-, hydrochloride (1:1) are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.43; (7)ACD/KOC (pH 5.5): 1.75; (8)ACD/KOC (pH 7.4): 24.81; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.02 Å2; (13)Flash Point: 175 °C; (14)Enthalpy of Vaporization: 62.42 kJ/mol; (15)Boiling Point: 365.8 °C at 760 mmHg; (16)Vapour Pressure: 1.06E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.NCC(c1ccccc1)c2ccc(C)cc2
(2) InChI: InChI=1/C15H17N.ClH/c1-12-7-9-14(10-8-12)15(11-16)13-5-3-2-4-6-13;/h2-10,15H,11,16H2,1H3;1H
(3) InChIKey: ZOULOMMJVBLJAU-UHFFFAOYAO