SKF 89976A supplier | CasNO.85375-15-1

Name
1-(4,4-DIPHENYL-3-BUTENYL)-3-PIPERIDINECARBOXYLIC ACID HYDROCHLORIDE
EINECS
CAS No. 85375-15-1
Density g/cm³
Solubility
Melting Point
Formula C₂₂H₂₆ClNO₂
Boiling Point 531.4°Cat760mmHg
Molecular Weight 371.907
Flash Point 275.2°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Piperidinecarboxylic acid,1-(4,4-diphenyl-3-butenyl)-,hydrochloride;
PSA 40.54000
LogP 5.04490

SKF 89976A Specification

The SKF 89976A, with the cas registry number 85375-15-1, has the systematic name of 1-(4,4-diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride. This is a kind of white solid and its product categories are including GABA/Glycine receptor; GABA.

The physical properties of this chemical are as follows: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 14.57; (6)ACD/BCF (pH 7.4): 14.59; (7)ACD/KOC (pH 5.5): 46.04; (8)ACD/KOC (pH 7.4): 46.12; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54; (13)Flash Point: 275.2 °C; (14)Enthalpy of Vaporization: 84.93 kJ/mol; (15)Boiling Point: 531.4 °C at 760 mmHg; (16)Vapour Pressure: 4.04E-12 mmHg at 25°C.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:Cl.O=C(O)C3CN(CC/C=C(\c1ccccc1)c2ccccc2)CCC3
(2)InChI:InChI=1/C22H25NO2.ClH/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25);1H
(3)InChIKey:SNGGBKYQZVAQKA-UHFFFAOYAL

Product Name

1-(4,4-DIPHENYL-3-BUTENYL)-3-PIPERIDINECARBOXYLIC ACID HYDROCHLORIDE

SKF 89976A Specification

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