CAS No.526196-90-7,2-Butyl-benzofuran-5-ylamine hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	526196-90-7
Name:	2-Butyl-benzofuran-5-ylamine hydrochloride
Article Data:	2

Formula:	C₁₂H₁₆ClNO
Molecular Weight:	225.718
Synonyms:	2-butylbenzofuran-5-amine Hydrochloride;2-Butyl-5-benzofuranamine Hydrochloride;
Boiling Point:	317.1 °C at 760 mmHg
Flash Point:	145.6 °C
PSA:	39.16000
LogP:	4.74080

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Specification

The CAS registry number of 2-Butyl-benzofuran-5-ylamine hydrochloride is 526196-90-7. This chemical's molecular formula is C₁₂H₁₆ClNO and molecular weight is 225.7145. What's more, its systematic name is called 2-Butyl-1-benzofuran-5-amine hydrochloride (1:1).

Physical properties about 2-Butyl-benzofuran-5-ylamine hydrochloride are: (1)ACD/LogP: 3.44; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 237; (6)ACD/BCF (pH 7.4): 243; (7)ACD/KOC (pH 5.5): 1732; (8)ACD/KOC (pH 7.4): 1776; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 16.38 Å²; (13)Flash Point: 145.6 °C; (14)Enthalpy of Vaporization: 55.85 kJ/mol; (15)Boiling Point: 317.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000392 mmHg at 25 °C .

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.o2c1ccc(cc1cc2CCCC)N
(2) InChI: InChI=1/C12H15NO.ClH/c1-2-3-4-11-8-9-7-10(13)5-6-12(9)14-11;/h5-8H,2-4,13H2,1H3;1H
(3) InChIKey: IPNAECRFGLADHK-UHFFFAOYAA