Name: 5H-Pyrido[3,2-b]indole
SKU: 245-08-9

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Basic Information

Molecular Structure:
CAS No.:	245-08-9
Name:	5H-Pyrido[3,2-b]indole

Formula:	C₁₁H₈N₂
Molecular Weight:	168.198
Synonyms:	delta-Carboline;
Density:	1.302 g/cm³
Melting Point:	225℃
Boiling Point:	372.942 °C at 760 mmHg
Flash Point:	171.6 °C
PSA:	28.68000
LogP:	2.71610

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Specification

5H-Pyrido[3,2-b]indole is an organic compound with the formula C₁₁H₈N₂, and its systematic name is the same with the product name. With the CAS registry number 245-08-9, it is also named as delta-Carboline. In addition, the molecular weight is 168.19.

Physical properties of 5H-Pyrido[3,2-b]indole are: (1)ACD/LogP: 2.526; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.84; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 1.01; (6)ACD/BCF (pH 7.4): 28.71; (7)ACD/KOC (pH 5.5): 11.60; (8)ACD/KOC (pH 7.4): 330.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.785; (14)Molar Refractivity: 54.462 cm³; (15)Molar Volume: 129.211 cm³; (16)Polarizability: 21.591×10^-24cm³; (17)Surface Tension: 66.29 dyne/cm; (18)Density: 1.302 g/cm³; (19)Flash Point: 171.6 °C; (20)Enthalpy of Vaporization: 59.58 kJ/mol; (21)Boiling Point: 372.942 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccc3c1c2c(cccc2)n3
(2)Std. InChI: InChI=1S/C11H8N2/c1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11/h1-7,13H
(3)Std. InChIKey: NSBVOLBUJPCPFH-UHFFFAOYSA-N