1-Benzylpiperidine-2-carboxylic acid supplier

Name
1-Benzylpiperidine-2-carboxylic acid
EINECS
CAS No. 21319-53-9
Article Data1
CAS DataBase
Density 1.165 g/cm³
Solubility
Melting Point 77-79 °C
Formula C₁₃H₁₇NO₂
Boiling Point 358.6 °C at 760 mmHg
Molecular Weight 219.283
Flash Point 170.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pipecolicacid, 1-benzyl- (8CI);1-Benzyl-2-piperidinecarboxylic acid;1-benzyl-2-piperidinecarboxylic acid;
PSA 40.54000
LogP 2.06360

1-Benzylpiperidine-2-carboxylic acid Specification

The 1-Benzylpiperidine-2-carboxylic acid, with the cas registry number 21319-53-9, is also called 1-benzyl-2-piperidinecarboxylic acid. It belongs to the product category of Piperidine. And the molecular formula of the chemical is C₁₃H₁₇NO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 61.89 cm³; (13)Molar Volume: 188 cm³; (14)Polarizability: 24.53×10^-24cm³; (15)Surface Tension: 50.3 dyne/cm; (16)Density: 1.165 g/cm³; (17)Flash Point: 170.7 °C; (18)Enthalpy of Vaporization: 63.74 kJ/mol; (19)Boiling Point: 358.6 °C at 760 mmHg; (20)Vapour Pressure: 9.13E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C2N(Cc1ccccc1)CCCC2
(2)InChI: InChI=1/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)
(3)InChIKey: FEUCBQVXYVZGCM-UHFFFAOYAT

Product Name

1-Benzylpiperidine-2-carboxylic acid

1-Benzylpiperidine-2-carboxylic acid Specification

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