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374064-06-9

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Basic Information
CAS No.: 374064-06-9
Name: 2-(2-PYRIDIN-4-YL-1H-INDOL-3-YL)ETHANAMINE MONOHYDROCHLORIDE
Molecular Structure:
Molecular Structure of 374064-06-9 (2-(2-PYRIDIN-4-YL-1H-INDOL-3-YL)ETHANAMINE MONOHYDROCHLORIDE)
Formula: C15H16ClN3
Molecular Weight: 273.7606
Synonyms: 1H-Indole-3-ethanamine,2-(4-pyridinyl)-, monohydrochloride (9CI);2-(2-pyridin-4-yl-1H-indol-3-yl)ethanamine hydrochloride;1H-indole-3-ethanamine, 2-(4-pyridinyl)-, hydrochloride (1:1);2-[2-(4-Pyridinyl)-1H-indol-3-yl]ethanamine hydrochloride;2-[2-(4-Pyridinyl)-1H-indol-3-yl]ethanaminhydrochlorid(1:1);
Boiling Point: 479.8 °C at 760 mmHg
Flash Point: 275.6 °C
Hazard Symbols: CorrosiveC
PSA: 54.70000
LogP: 4.23340
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Specification

The 1H-Indole-3-ethanamine,2-(4-pyridinyl)-, hydrochloride (1:1), with the CAS registry number 374064-06-9, has the systematic name of 2-(2-pyridin-4-yl-1H-indol-3-yl)ethanamine hydrochloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C15H16ClN3.

The characteristics of 1H-Indole-3-ethanamine,2-(4-pyridinyl)-, hydrochloride (1:1) are as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.3; (4)ACD/LogD (pH 7.4): -0.04; (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): 1.52; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 21.06 Å2; (13)Flash Point: 275.6 °C; (14)Enthalpy of Vaporization: 74.42 kJ/mol; (15)Boiling Point: 479.8 °C at 760 mmHg; (16)Vapour Pressure: 2.29E-09 mmHg at 25°C.    

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.n3ccc(c2c(c1ccccc1n2)CCN)cc3
(2)InChI: InChI=1/C15H15N3.ClH/c16-8-5-13-12-3-1-2-4-14(12)18-15(13)11-6-9-17-10-7-11;/h1-4,6-7,9-10,18H,5,8,16H2;1H
(3)InChIKey: DJWRMMDPJLNZMK-UHFFFAOYAY