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| Name |
2-Isopropylamino-1-phenylethanol hydrochloride |
EINECS | N/A |
| CAS No. | 10568-00-0 | Density | N/A |
| PSA | 32.26000 | LogP | 2.91090 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H17NO.HCl | Boiling Point | 272.7 °C at 760 mmHg |
| Molecular Weight | 215.72 | Flash Point | 87.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
2-Isopropylamino-1-phenylethanol hydrochloride 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. |
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