-
Name
4-BENZYLIDENE-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- EINECS
- CAS No. 193217-39-9
- Article Data20
- CAS DataBase
- Density 1.106 g/cm3
- Solubility
- Melting Point 95-96 °C(Solv: ethyl ether (60-29-7))
- Formula C17H23NO3
- Boiling Point 400.633 °C at 760 mmHg
- Molecular Weight 289.375
- Flash Point 196.096 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-Benzoyl-piperidine-1-carboxylic acid tert-butyl ester;
- PSA 46.61000
- LogP 3.45430
1-Piperidinecarboxylic acid, 4-benzoyl-, 1,1-dimethylethyl ester Specification
The 1-Piperidinecarboxylic acid, 4-benzoyl-, 1, 1-dimethylethyl ester, with the CAS registry number 193217-39-9, is also known as 4-Benzoyl-piperidine-1-carboxylic acid tert-butyl ester. This chemical's molecular formula is C17H23NO3 and molecular weight is 289.3694. What's more, its systematic name is tert-Butyl 4-(phenylcarbonyl)piperidine-1-carboxylate.
Physical properties about 1-Piperidinecarboxylic acid, 4-benzoyl-, 1, 1-dimethylethyl ester are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 101; (6)ACD/BCF (pH 7.4): 101; (7)ACD/KOC (pH 5.5): 947; (8)ACD/KOC (pH 7.4): 947; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 81.085 cm3; (15)Molar Volume: 261.712 cm3; (16)Polarizability: 32.145×10-24 cm3; (17)Surface Tension: 41.972 dyne/cm; (18)Density: 1.106 g/cm3; (19)Flash Point: 196.096 °C; (20)Enthalpy of Vaporization: 65.153 kJ/mol; (21)Boiling Point: 400.633 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N2CCC(C(=O)c1ccccc1)CC2
(2) InChI: InChI=1/C17H23NO3/c1-17(2,3)21-16(20)18-11-9-14(10-12-18)15(19)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
(3) InChIKey: ITLCXSHKUNNAHG-UHFFFAOYAM
Related Products
- 1-Piperidinecarboxylic acid, 3-(4-nitrophenoxy)-, 1,1-dimethylethyl ester
- 1-Piperidinecarboxylic acid, 4-[[[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl]amino]carbonyl]-, 1,1-dimethylethyl ester
- 1-Piperidinecarboxylic acid, 4-benzoyl-, 1,1-dimethylethyl ester
- 1-Piperidinecarboxylic acid,4-[[4-(ethoxycarbonyl)-2-methoxyphenoxy]methyl]-, 1,1-dimethylethyles
- 1-Piperidinecarboxylic acid,4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester
- 1-Piperidinecarboxylicacid, 2-(1-methylethyl)-4-oxo-, 1,1-dimethylethyl ester
- 1-Piperidinecarboxylicacid, 2-amino-, 1,1-dimethylethyl ester
- 1-Piperidinecarboxylicacid, 2-cyano-, 1,1-dimethylethyl ester, (2R)-
- 1-Piperidinecarboxylicacid, 2-ethyl-4-oxo-, 1,1-dimethylethyl ester
- 1-Piperidinecarboxylicacid, 3-(2-nitrophenoxy)-, 1,1-dimethylethyl ester
- 193220-21-2
- 19322-27-1
- 1932-36-1
- 1932-50-9
- 19326-29-5
- 193269-78-2
- 193269-82-8
- 193270-06-3
- 19327-38-9
- 193275-84-2
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