1-(1H-Indol-3-ylmethyl)piperidine-4-carboxylic acid supplier

Name
1-(1H-Indol-3-ylmethyl)piperidine-4-carboxylic acid
EINECS
CAS No. 100957-76-4
Density 1.288 g/cm³
Solubility
Melting Point 228 °C (decomp)
Formula C₁₅H₁₈N₂O₂
Boiling Point 476.4 °C at 760 mmHg
Molecular Weight 258.32
Flash Point 241.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isonipecoticacid, 1-(indol-3-ylmethyl)- (6CI);4-Piperidinecarboxylic acid, 1-(1H-indol-3-ylmethyl)-;1-(1 H -Indol-3-ylmethyl)-piperidine-4-carboxylic;
PSA 56.33000
LogP 2.40240

1-(1H-Indol-3-ylmethyl)piperidine-4-carboxylic acid Specification

The 1-(1H-Indol-3-ylmethyl)piperidine-4-carboxylic acid, with the CAS registry number 100957-76-4, is also called 4-Piperidinecarboxylic acid, 1-(1H-indol-3-ylmethyl)-. And the molecular formula of the chemical is C₁₅H₁₈N₂O₂.

The characteristics of 1-(1H-Indol-3-ylmethyl)piperidine-4-carboxylic acid are as followings: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 42.23 Å²; (7)Index of Refraction: 1.661; (8)Molar Refractivity: 74.17 cm³; (9)Molar Volume: 200.5 cm³; (10)Polarizability: 29.4×10^-24cm³; (11)Surface Tension: 64.1 dyne/cm; (12)Density: 1.288 g/cm³; (13)Flash Point: 241.9 °C; (14)Enthalpy of Vaporization: 77.96 kJ/mol; (15)Boiling Point: 476.4 °C at 760 mmHg; (16)Vapour Pressure: 6.97E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]C(=O)C1CC[NH+](CC1)Cc3c2ccccc2nc3
(2)InChI: InChI=1/C15H18N2O2/c18-15(19)11-5-7-17(8-6-11)10-12-9-16-14-4-2-1-3-13(12)14/h1-4,9,11,16H,5-8,10H2,(H,18,19)
(3)InChIKey: QNHYWDRTEHWTAR-UHFFFAOYAX

Product Name

1-(1H-Indol-3-ylmethyl)piperidine-4-carboxylic acid

1-(1H-Indol-3-ylmethyl)piperidine-4-carboxylic acid Specification

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