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| CAS No.: | 85375-15-1 |
|---|---|
| Name: | 1-(4,4-DIPHENYL-3-BUTENYL)-3-PIPERIDINECARBOXYLIC ACID HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C22H26ClNO2 |
| Molecular Weight: | 371.907 |
| Synonyms: | 3-Piperidinecarboxylic acid,1-(4,4-diphenyl-3-butenyl)-,hydrochloride; |
| Density: | g/cm3 |
| Boiling Point: | 531.4°Cat760mmHg |
| Flash Point: | 275.2°C |
| PSA: | 40.54000 |
| LogP: | 5.04490 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- Total:25 Page 1 of 1 1
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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