2-Phenyl-1-propanamine hydrochloride 98% supplier in China CAS NO.20388-87-8

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1. Introduction of 2-Phenyl-1-propanamine hydrochloride

2-Phenyl-1-propanamine hydrochloride, with the CAS registry number 20388-87-8, is also known as Benzeneethanamine, b-methyl-, hydrochloride (1:1). It belongs to the classification code of Drug / Therapeutic Agent. This chemical's molecular formula is C₉H₁₄ClN and molecular weight is 171.67. What's more, its IUPAC name is called 2-Phenylpropan-1-amine hydrochloride.

2. Basic Information of 2-Phenyl-1-propanamine hydrochloride

1) Properties of 2-Phenyl-1-propanamine hydrochloride

Physical properties about 2-Phenyl-1-propanamine hydrochloride are: (1)ACD/LogP: 1.806; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.27; (4)ACD/LogD (pH 7.4): -0.62; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 ?2; (13)Flash Point: 84.6 °C; (14)Enthalpy of Vaporization: 44.63 kJ/mol; (15)Boiling Point: 210 °C at 760 mmHg; (16)Vapour Pressure: 0.197 mmHg at 25 °C.

2) Descriptors of Structure

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.NCC(c1ccccc1)C
(2) InChI: InChI=1S/C9H13N.ClH/c1-8(7-10)9-5-3-2-4-6-9;/h2-6,8H,7,10H2,1H3;1H
(3) InChIKey: HBVYOCJBEXSCQE-UHFFFAOYSA-N

3) Toxicity of 2-Phenyl-1-propanamine hydrochloride