Escitalopram hydrobromide supplier

Name
Escitalopram hydrobromide
EINECS
CAS No. 481047-50-1
Density
Solubility
Melting Point
Formula C₂₀H₂₂BrFN₂O
Boiling Point 428.3 °C at 760 mmHg
Molecular Weight 405.3039
Flash Point 212.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide;
PSA
LogP

Escitalopram hydrobromide Specification

The CAS registry number of Escitalopram hydrobromide is 481047-50-1. Its molecular formula is C₂₀H₂₂BrFN₂O and molecular weight is 405.3039. Its systematic name is called (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide.

Physical properties about Escitalopram hydrobromide are: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 4; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Flash Point: 212.8 °C; (13)Enthalpy of Vaporization: 68.35 kJ/mol; (14)Boiling Point: 428.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Br.Fc1ccc(cc1)[C@@]3(OCc2cc(C#N)ccc23)CCCN(C)C
(2)InChI: InChI=1/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H/t20-;/m0./s1
(3)InChIKey: WIHMBLDNRMIGDW-BDQAORGHBJ

Product Name

Escitalopram hydrobromide

Escitalopram hydrobromide Specification

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