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Basic Information
CAS No.: 10568-00-0
Name: 2-ISOPROPYLAMINO-1-PHENYL-ETHANOL HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 10568-00-0 (2-ISOPROPYLAMINO-1-PHENYL-ETHANOL HYDROCHLORIDE)
Formula: C11H17NO.HCl
Molecular Weight: 215.72
Synonyms: Benzenemethanol,a-[[(1-methylethyl)amino]methyl]-,hydrochloride (9CI);Benzyl alcohol, a-[(isopropylamino)methyl]-, hydrochloride (7CI,8CI);1-phenyl-2-(propan-2-ylamino)ethanol hydrochloride (1:1);Benzenemethanol, α-(((1-methylethyl)amino)methyl)-, hydrochloride;α-(((1-Methylethyl)amino)methyl)benzenemethanol hydrochloride;
Boiling Point: 272.7 °C at 760 mmHg
Flash Point: 87.5 °C
PSA: 32.26000
LogP: 2.91090
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Specification

The 2-Isopropylamino-1-phenylethanol hydrochloride, with the CAS registry number 10568-00-0, has the systematic name and IUPAC name of 1-phenyl-2-(propan-2-ylamino)ethanol hydrochloride (1:1). And the molecular formula of the chemical is C11H17NO.HCl.

The characteristics of 2-Isopropylamino-1-phenylethanol hydrochloride are as followings: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 12.47 Å2; (7)Flash Point: 87.5 °C; (8)Enthalpy of Vaporization: 53.98 kJ/mol; (9)Boiling Point: 272.7 °C at 760 mmHg; (10)Vapour Pressure: 0.00293 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.OC(c1ccccc1)CNC(C)C
(2)InChI: InChI=1/C11H17NO.ClH/c1-9(2)12-8-11(13)10-6-4-3-5-7-10;/h3-7,9,11-13H,8H2,1-2H3;1H
(3)InChIKey: JBUOSJBESMBFEQ-UHFFFAOYAL

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 108mg/kg (108mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977.