2-Piperidinecarboxylicacid, 1-benzoyl- supplier

Name
1-BENZOYL-PIPERIDINE-2-CARBOXYLIC ACID
EINECS
CAS No. 78348-46-6
Article Data3
CAS DataBase
Density 1.248 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₅NO₃
Boiling Point 438.8 °C at 760 mmHg
Molecular Weight 233.267
Flash Point 219.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pipecolicacid, 1-benzoyl- (6CI,7CI);1-Benzoyl-2-piperidinecarboxylic acid;1-(Phenylcarbonyl)piperidine-2-carboxylicacid;N-Benzoyl-DL-pipecolinic acid;N-Benzoylpipecolinic acid;1-Benzoylpiperidine-2-carboxylic acid;
PSA 57.61000
LogP 1.70380

2-Piperidinecarboxylicacid, 1-benzoyl- Specification

The 2-Piperidinecarboxylicacid, 1-benzoyl-, with the CAS registry number 78348-46-6, is also known as 1-Benzoyl-2-piperidinecarboxylic acid. This chemical's molecular formula is C₁₃H₁₅NO₃ and molecular weight is 233.26. What's more, its systematic name is 1-Benzoylpiperidine-2-carboxylic acid.

Physical properties of 2-Piperidinecarboxylicacid, 1-benzoyl- are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -2.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 62.37 cm³; (15)Molar Volume: 186.7 cm³; (16)Polarizability: 24.72×10^-24cm³; (17)Surface Tension: 53.9 dyne/cm; (18)Density: 1.248 g/cm³; (19)Flash Point: 219.2 °C; (20)Enthalpy of Vaporization: 73.33 kJ/mol; (21)Boiling Point: 438.8 °C at 760 mmHg; (22)Vapour Pressure: 1.78E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)N2C(C(=O)O)CCCC2
(2)InChI: InChI=1S/C13H15NO3/c15-12(10-6-2-1-3-7-10)14-9-5-4-8-11(14)13(16)17/h1-3,6-7,11H,4-5,8-9H2,(H,16,17)
(3)InChIKey: KSWNBXOCSNHTLX-UHFFFAOYSA-N

Product Name

1-BENZOYL-PIPERIDINE-2-CARBOXYLIC ACID

2-Piperidinecarboxylicacid, 1-benzoyl- Specification

Related Products

Hot Products