1. Introduction of Methyl(2-phenylethyl)amine hydrochloride

This Phenethylamine, with its CAS NO 4104-43-2, is a kind of white crystalline. It has synonyms of PHENYLETHYLAMINE, BETA,N-METHYL;N-Methylphenethylamine, hydrochloride;Methylphenethylamine hydrochloride;N-Methylphenethylamine hydrochloride;Benzeneethanamine, N-methyl-, hydrochloride and N-Methyl-.beta.-phenylethylamine hydrochloride. This chemical should be stored in shady and cool warehouse and mainly used as diagnosis medication.

2. Properties of Methyl(2-phenylethyl)amine hydrochloride

(1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.5; (4)ACD/LogD (pH 7.4): -1.12; (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: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Ų; (13)Flash Point: 73.9 °C; (14)Enthalpy of Vaporization: 43.8 kJ/mol; (15)Boiling Point: 201.7 °C at 760 mmHg; (16)Vapour Pressure: 0.303 mmHg at 25°C.

3. Structure descriptors of Methyl(2-phenylethyl)amine hydrochloride

1.SMILES: Cl.N(CCc1ccccc1)C
2.InChI: InChI=1/C9H13N.ClH/c1-10-8-7-9-5-3-2-4-6-9;/h2-6,10H,7-8H2,1H3;1H
3.InChIKey: WIBADEXUNPVVIP-UHFFFAOYAB
4.Std. InChI: InChI=1S/C9H13N.ClH/c1-10-8-7-9-5-3-2-4-6-9;/h2-6,10H,7-8H2,1H3;1H
5.Std. InChIKey: WIBADEXUNPVVIP-UHFFFAOYSA-N 

4. The toxicity data is as follows: