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65347-55-9

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Basic Information
CAS No.: 65347-55-9
Name: 3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)-1H-INDOLE
Article Data: 22
Molecular Structure:
Molecular Structure of 65347-55-9 (3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)-1H-INDOLE)
Formula: C13H14N2
Molecular Weight: 198.268
Synonyms: 1,2,3,6-Tetrahydro-4-(3-indolyl)pyridine;3-(1,2,3,6-Tetrahydro-4-pyridyl)-1H-indole;3-(1,2,3,6-Tetrahydropyridin-4-yl)-1H-indole;3-(1,2,3,6-Tetrahydropyridin-4-yl)indole;4-(Indol-3-yl)-1,2,3,6-tetrahydropyridine;RU 24441;
Density: 1.163 g/cm3
Melting Point: 177-182 °C
Boiling Point: 400.4 °C at 760 mmHg
Flash Point: 195.9 °C
Hazard Symbols: IrritantXi
PSA: 27.82000
LogP: 2.87340
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Specification

The systematic name of 1H-Indole,3-(1,2,3,6-tetrahydro-4-pyridinyl)- is 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole. With the CAS registry number 65347-55-9, it is also named as 4-(Indol-3-yl)-1,2,3,6-tetrahydropyridine. In addition, its molecular formula is C13H14N2 and its molecular weight is 198.26.

The other characteristics of 1H-Indole,3-(1,2,3,6-tetrahydro-4-pyridinyl)- can be summarized as: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.56; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.56; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 8.17 Å2; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 62.72 cm3; (15)Molar Volume: 170.3 cm3; (16)Polarizability: 24.86×10-24cm3; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.163 g/cm3; (19)Flash Point: 195.9 °C; (20)Melting Point: 177-182 °C; (21)Enthalpy of Vaporization: 65.12 kJ/mol; (22)Boiling Point: 400.4 °C at 760 mmHg; (23)Vapour Pressure: 1.28E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: n2cc(/C1=C/CNCC1)c3ccccc23
(2)InChI: InChI=1/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
(3)InChIKey: CIRSPTXGPFAXRE-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
(5)Std. InChIKey: CIRSPTXGPFAXRE-UHFFFAOYSA-N