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2-Butyl-5-benzofuranamine hydrochloride

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Name

2-Butyl-5-benzofuranamine hydrochloride

EINECS N/A
CAS No. 526196-90-7 Density N/A
PSA 39.16000 LogP 4.74080
Solubility N/A Melting Point N/A
Formula C12H16ClNO Boiling Point 317.1 °C at 760 mmHg
Molecular Weight 225.718 Flash Point 145.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 526196-90-7 (2-Butyl-benzofuran-5-ylamine hydrochloride) Hazard Symbols N/A
Synonyms

2-butylbenzofuran-5-amine Hydrochloride;2-Butyl-5-benzofuranamine Hydrochloride;

Article Data 2

2-Butyl-5-benzofuranamine hydrochloride 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

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