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Basic Information
CAS No.: 267876-26-6
Name: 1H-Pyrrolo[3,2-b]pyridine-5-methanamine(9CI)
Article Data: 2
Molecular Structure:
Molecular Structure of 267876-26-6 (1H-Pyrrolo[3,2-b]pyridine-5-methanamine(9CI))
Formula: C8H9N3
Molecular Weight: 147.18
Synonyms: Pyrrolo[2,3-e]pyridin-5-ylmethylamine;
Density: 1.278 g/cm3
Boiling Point: 327 °C at 760 mmHg
Flash Point: 177.8 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 54.70000
LogP: 1.72190
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Specification

The 1H-Pyrrolo[3,2-b]pyridine-5-methanamine, with the CAS registry number 267876-26-6, is also known as Pyrrolo[2,3-e]pyridin-5-ylmethylamine. It belongs to the product category of Pyridine. This chemical's molecular formula is C8H9N3 and molecular weight is 147.1772. What's more, its systematic name is called 1-(1H-Pyrrolo[3,2-b]pyridin-5-yl)methanamine.

Physical properties about 1H-Pyrrolo[3,2-b]pyridine-5-methanamine are: (1)#of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 54.7Å2; (10)Index of Refraction: 1.712; (11)Molar Refractivity: 45.07 cm3; (12)Molar Volume: 115 cm3; (13)Polarizability: 17.86×10-24 cm3; (14)Surface Tension: 68.1 dyne/cm; (15)Density: 1.278 g/cm3; (16)Flash Point: 177.8 °C; (17)Enthalpy of Vaporization: 56.93 kJ/mol; (18)Boiling Point: 327 °C at 760 mmHg; (19)Vapour Pressure: 0.000208 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NCc1ccc2nccc2n1
(2) InChI: InChI=1/C8H9N3/c9-5-6-1-2-7-8(11-6)3-4-10-7/h1-4,10H,5,9H2
(3) InChIKey: FTMDDRRFHNBYFI-UHFFFAOYAC