3-(Piperidin-3-yl)-1H-indole supplier

Name
3-(Piperidin-3-yl)-1H-indole
EINECS
CAS No. 204687-20-7
Article Data6
CAS DataBase
Density 1.118 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆N₂
Boiling Point 392.234 °C at 760 mmHg
Molecular Weight 200.283
Flash Point 191.016 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Indole, 3-(3-piperidinyl)-;
PSA 27.82000
LogP 2.96370

3-(Piperidin-3-yl)-1H-indole Specification

The 3-(Piperidin-3-yl)-1H-indole, with the CAS registry number 204687-20-7, is also known as 1H-Indole, 3-(3-piperidinyl)-. This chemical's molecular formula is C₁₃H₁₆N₂ and molecular weight is 200.28. What's more, its systematic name is called 3-(Piperidin-3-yl)-1H-indole.

Physical properties about 3-(Piperidin-3-yl)-1H-indole are: (1) ACD/LogP: 2.45; (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: 2; (8) #H bond donors: 2; (9) #Freely Rotating Bonds: 1; (10) Polar Surface Area: 27.82 Å²; (11) Index of Refraction: 1.623; (12) Molar Refractivity: 63.127 cm³; (13) Molar Volume: 179.11 cm³; (14) Surface Tension: 47.354 dyne/cm; (15) Density: 1.118 g/cm³; (16) Flash Point: 191.016 °C; (17) Enthalpy of Vaporization: 64.195 kJ/mol; (18) Boiling Point: 392.234 °C at 760 mmHg; (19) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2cc(C1CNCCC1)c3ccccc23
(2) InChI: InChI=1/C13H16N2/c1-2-6-13-11(5-1)12(9-15-13)10-4-3-7-14-8-10/h1-2,5-6,9-10,14-15H,3-4,7-8H2
(3) InChIKey: NSTKAVLBVZXAHE-UHFFFAOYAA

Product Name

3-(Piperidin-3-yl)-1H-indole

3-(Piperidin-3-yl)-1H-indole Specification

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