1H-2-Benzopyran-1-one,3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-,hydrochloride (1:1) supplier

Name
(+/-)-AC 7954 HYDROCHLORIDE
EINECS
CAS No. 477313-09-0
Density
Solubility H2O: ~28 mg/mL
Melting Point
Formula C₁₉H₂₁Cl₂NO₂
Boiling Point 462.8 °C at 760 mmHg
Molecular Weight 366.2815
Flash Point 233.7 °C
Transport Information
Appearance white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-Chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-1H-isochromen-1-one hydrochloride;
PSA 29.54000
LogP 4.70210

1H-2-Benzopyran-1-one,3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-,hydrochloride (1:1) Specification

The 1H-2-Benzopyran-1-one,3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-,hydrochloride (1:1), with the CAS registry number 477313-09-0, is also known as 3-(4-Chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-1H-isochromen-1-one hydrochloride. This chemical's molecular formula is C₁₉H₂₁Cl₂NO₂ and molecular weight is 366.2815. What's more, it should be stored under the temperature of +4 °C and it is white solid.

Physical properties about 1H-2-Benzopyran-1-one,3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-,hydrochloride (1:1) are: (1)ACD/LogP: 4.13; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 55; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 233.7 °C; (14)Enthalpy of Vaporization: 72.39 kJ/mol; (15)Boiling Point: 462.8 °C at 760 mmHg; (16)Vapour Pressure: 9.57E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Clc1ccc(cc1)C3(OC(=O)c2c(cccc2)C3)CCN(C)C
(2) InChI: InChI=1/C19H20ClNO2.ClH/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19;/h3-10H,11-13H2,1-2H3;1H
(3) InChIKey: AJPGLOWFIBOGMH-UHFFFAOYAX

Product Name

(+/-)-AC 7954 HYDROCHLORIDE

1H-2-Benzopyran-1-one,3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-,hydrochloride (1:1) Specification

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