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28419-74-1

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Basic Information
CAS No.: 28419-74-1
Name: 2-(1H-PYRROLO[3,2-B]PYRIDIN-3-YL)ETHANAMINE
Molecular Structure:
Molecular Structure of 28419-74-1 (2-(1H-PYRROLO[3,2-B]PYRIDIN-3-YL)ETHANAMINE)
Formula: C9H11N3
Molecular Weight: 161.2037
Synonyms: 2-(1H-PYRROLO[3,2-B]PYRIDIN-3-YL)ETHANAMINE;2-{1H-pyrrolo[3,2-b]pyridin-3-yl}ethan-1-aMine;2-(1H-Pyrrolo[3,2-b]pyridin-3-yl)-ethylamine
Density: 1.225 g/cm3
Boiling Point: 358.374 °C at 760 mmHg
Flash Point: 197.852 °C
PSA: 54.70000
LogP: 1.76440
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Specification

The CAS registry number of 1H-Pyrrolo[3,2-b]pyridine-3-ethanamine is 28419-74-1. This chemical's molecular formula is C9H11N3 and molecular weight is 161.2037. What's more, its systematic name is called 2-(1H-Pyrrolo[3,2-b]pyridin-3-yl)ethanamine.

Physical properties about 1H-Pyrrolo[3,2-b]pyridine-3-ethanamine are: (1)ACD/LogP: 0.58; (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: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 54.7 Å2; (11)Index of Refraction: 1.68; (12)Molar Refractivity: 49.704 cm3; (13)Molar Volume: 131.59 cm3; (14)Polarizability: 19.704×10-24 cm3; (15)Surface Tension: 62.836 dyne/cm; (16)Density: 1.225 g/cm3; (17)Flash Point: 197.852 °C; (18)Enthalpy of Vaporization: 60.385 kJ/mol; (19)Boiling Point: 358.374 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NCCc2cnc1cccnc12
(2) InChI: InChI=1/C9H11N3/c10-4-3-7-6-12-8-2-1-5-11-9(7)8/h1-2,5-6,12H,3-4,10H2
(3) InChIKey: USCHHUMFWCCWJD-UHFFFAOYAC