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6309-39-3

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Basic Information
CAS No.: 6309-39-3
Name: Benzhydrol, alpha-(2-(dimethylamino)ethyl)-, hydrochloride
Molecular Structure:
Molecular Structure of 6309-39-3 (Benzhydrol, alpha-(2-(dimethylamino)ethyl)-, hydrochloride)
Formula: C17H22ClNO
Molecular Weight: 291.82
Synonyms: 3-Dimethylamino-1,1-diphenyl-propan-1-ol hydrochloride;α-(2-(Dimethylamino)ethyl)benzhydrol hydrochloride;Colopidalol;
Melting Point: 204 °C
Boiling Point: 402.2 °C at 760 mmHg
Flash Point: 152.7 °C
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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