-
Name
Benzhydrol, alpha-(2-(dimethylamino)ethyl)-, hydrochloride
- EINECS
- CAS No. 6309-39-3
- Density
- Solubility
- Melting Point 204 °C
- Formula C17H22ClNO
- Boiling Point 402.2 °C at 760 mmHg
- Molecular Weight 291.82
- Flash Point 152.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 3-Dimethylamino-1,1-diphenyl-propan-1-ol hydrochloride;α-(2-(Dimethylamino)ethyl)benzhydrol hydrochloride;Colopidalol;
- PSA
- LogP
Benzhydrol, α-(2-(dimethylamino)ethyl)-, hydrochloride Specification
The Benzhydrol, α-(2-(dimethylamino)ethyl)-, hydrochloride is an organic compound with the formula C17H22ClNO. The IUPAC name of this chemical is 3-(Dimethylamino)-1,1-diphenylpropan-1-ol hydrochloride. With the CAS registry number 6309-39-3, it is also named as α-(2-(Dimethylamino)ethyl)benzhydrol hydrochloride. Besides, its molecular weight is 291.82.
The physical properties of Benzhydrol, α-(2-(dimethylamino)ethyl)-, hydrochloride are: (1)ACD/LogP: 3.21; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 12.47 Å2; (6)Flash Point: 152.7 °C; (7)Enthalpy of Vaporization: 68.89 kJ/mol; (8)Boiling Point: 402.2 °C at 760 mmHg; (9)Vapour Pressure: 3.44E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.OC(c1ccccc1)(c2ccccc2)CCN(C)C
(2)InChI: InChI=1/C17H21NO.ClH/c1-18(2)14-13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,19H,13-14H2,1-2H3;1H
(3)InChIKey: GZMOASZPKWHMEZ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C17H21NO.ClH/c1-18(2)14-13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,19H,13-14H2,1-2H3;1H
(5)Std. InChIKey: GZMOASZPKWHMEZ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | British Journal of Pharmacology and Chemotherapy. Vol. 6, Pg. 560, 1951. Link to PubMed |
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