Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Piperidinecarboxylicacid, 1-(4-chlorobenzoyl)- |
EINECS | N/A |
CAS No. | 379724-54-6 | Density | 1.347 g/cm3 |
PSA | 57.61000 | LogP | 2.21470 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H14ClNO3 | Boiling Point | 478.1 °C at 760 mmHg |
Molecular Weight | 267.708160 | Flash Point | 242.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(4-Chloro-benzoyl)-piperidine-4-carboxylic acid;4-piperidinecarboxylic acid, 1-(4-chlorobenzoyl)-;1-(4-chlorobenzoyl)piperidine-4-carboxylic acid(SALTDATA: FREE) |
Article Data | 1 |
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