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CAS No.: | 204687-20-7 |
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Name: | 3-(Piperidin-3-yl)-1H-indole |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C13H16N2 |
Molecular Weight: | 200.283 |
Synonyms: | 1H-Indole, 3-(3-piperidinyl)-; |
Density: | 1.118 g/cm3 |
Boiling Point: | 392.234 °C at 760 mmHg |
Flash Point: | 191.016 °C |
PSA: | 27.82000 |
LogP: | 2.96370 |
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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