-
Name
1-(4-Chloro-benzoyl)-piperidine-4-carboxylic acid
- EINECS
- CAS No. 379724-54-6
- Article Data1
- CAS DataBase
- Density 1.347 g/cm3
- Solubility
- Melting Point
- Formula C13H14ClNO3
- Boiling Point 478.1 °C at 760 mmHg
- Molecular Weight 267.708160
- Flash Point 242.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-(4-Chloro-benzoyl)-piperidine-4-carboxylic acid;4-piperidinecarboxylic acid, 1-(4-chlorobenzoyl)-;1-(4-chlorobenzoyl)piperidine-4-carboxylic acid(SALTDATA: FREE)
- PSA 57.61000
- LogP 2.21470
4-Piperidinecarboxylicacid, 1-(4-chlorobenzoyl)- Specification
The 4-Piperidinecarboxylicacid, 1-(4-chlorobenzoyl)-, with the CAS registry number 379724-54-6, is also known as 1-[(4-chlorophenyl)carbonyl]piperidine-4-carboxylic acid. Its molecular formula is C13H14ClNO3 and its molecular weight is 267.708160. Additionally, it has the IUPAC name 1-(4-chlorobenzoyl)piperidine-4-carboxylic acid.
Other characteristics of the 4-Piperidinecarboxylicacid, 1-(4-chlorobenzoyl)- can be summarised as followings: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.77; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.61 Å2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 67.27 cm3; (14)Molar Volume: 198.7 cm3; (15)Polarizability: 26.66×10-24cm3; (16)Surface Tension: 55.8 dyne/cm; (17)Density: 1.347 g/cm3; (18)Flash Point: 242.9 °C; (19)Enthalpy of Vaporization: 78.17 kJ/mol; (20)Boiling Point: 478.1 °C at 760 mmHg; (21)Vapour Pressure: 6E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc(Cl)cc1)N2CCC(C(=O)O)CC2
2.InChI: InChI=1/C13H14ClNO3/c14-11-3-1-9(2-4-11)12(16)15-7-5-10(6-8-15)13(17)18/h1-4,10H,5-8H2,(H,17,18)
3.InChIKey: FGLQAKJRFPNIJT-UHFFFAOYAY
Related Products
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- 4-Piperidinecarboxylicacid, 1-(4-formylphenyl)-, ethyl ester
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- 4-Piperidinecarboxylicacid, 1-(5-methyl-2-benzoxazolyl)-
- 4-Piperidinecarboxylicacid, 1-[(3-aminophenyl)methyl]-, ethyl ester
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- 4-Piperidinecarboxylicacid, 1-formyl-
- 4-Piperidinecarboxylicacid, 1-thieno[3,2-d]pyrimidin-4-yl-
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