Benzeneacetic acid,2-(aminomethyl)-, hydrochloride (1:1) (52067-92-2)

The 2-(Aminomethyl)phenylacetic acid hydrochloride, with the CAS registry number 52067-92-2 and EINECS registry number 257-635-3, has the systematic name of [2-(aminomethyl)phenyl]acetic acid hydrochloride. And the molecular formula of the chemical is C₉H₁₁NO₂^.HCl.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.97; (4)ACD/LogD (pH 7.4): -1.96; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 152.2 °C; (14)Enthalpy of Vaporization: 60.21 kJ/mol; (15)Boiling Point: 328 °C at 760 mmHg; (16)Vapour Pressure: 7.86E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.O=C(O)Cc1ccccc1CN
(2)InChI: InChI=1/C9H11NO2.ClH/c10-6-8-4-2-1-3-7(8)5-9(11)12;/h1-4H,5-6,10H2,(H,11,12);1H
(3)InChIKey: LLGULXJQFZWSCT-UHFFFAOYAX