3-(Piperazin-1-ylmethyl)-1H-indole supplier

Name
3-(Piperazin-1-ylmethyl)-1H-indole
EINECS
CAS No. 114746-66-6
Article Data4
CAS DataBase
Density 1.168 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₇N₃
Boiling Point 395.8 °C at 760 mmHg
Molecular Weight 215.298
Flash Point 193.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-[(Piperazin-1-yl)methyl]-1H-indole;1H-Indole, 3-(1-piperazinylmethyl)-;3-(1-Piperazinylmethyl)-1H-indole;
PSA 31.06000
LogP 1.83980

3-(Piperazin-1-ylmethyl)-1H-indole Specification

The 3-(Piperazin-1-ylmethyl)-1H-indole, with the CAS registry number 114746-66-6, has the systematic name of 1H-Indole, 3-(1-piperazinylmethyl)-. And it is also called 3-(1-Piperazinylmethyl)-1H-indole. The molecular formula of the chemical is C₁₃H₁₇N₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 31.06 Å²; (7)Index of Refraction: 1.644; (8)Molar Refractivity: 66.8 cm³; (9)Molar Volume: 184.2 cm³; (10)Polarizability: 26.48×10^-24cm³; (11)Surface Tension: 52.1 dyne/cm; (12)Density: 1.168 g/cm³; (13)Flash Point: 193.2 °C; (14)Enthalpy of Vaporization: 64.6 kJ/mol; (15)Boiling Point: 395.8 °C at 760 mmHg; (16)Vapour Pressure: 1.79E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1nc3ccccc3c1CN2CCNCC2
(2)InChI: InChI=1/C13H17N3/c1-2-4-13-12(3-1)11(9-15-13)10-16-7-5-14-6-8-16/h1-4,9,14-15H,5-8,10H2
(3)InChIKey: ZTNAIHGOFCMOPJ-UHFFFAOYAO

Product Name

3-(Piperazin-1-ylmethyl)-1H-indole

3-(Piperazin-1-ylmethyl)-1H-indole Specification

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