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172349-10-9

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Basic Information
CAS No.: 172349-10-9
Name: 5-(AMINOMETHYL)THIOPHENE-2-CARBONITRILE HYDROCHLORIDE
Article Data: 8
Molecular Structure:
Molecular Structure of 172349-10-9 (5-(AMINOMETHYL)THIOPHENE-2-CARBONITRILE HYDROCHLORIDE)
Formula: C6H6N2S.HCl
Molecular Weight: 174.65
Synonyms: 5-AMINOMETHYL-THIOPHENE-2-CARBONITRILE;5-(AMINOMETHYL)THIOPHENE-2-CARBONITRILE HYDROCHLORIDE;5-(Aminomethyl)-2-thiophenecarbonitrile hydrochloride;2-Thiophenecarbonitrile, 5-(aminomethyl)-, hydrochloride (1:1);2-Thiophenecarbonitrile, 5-(aMinoMethyl)-, Monohydrochloride
Boiling Point: 301 °C at 760 mmHg
Flash Point: 135.8 °C
Hazard Symbols: T
Risk Codes: 25
Safety: 45
PSA: 78.05000
LogP: 2.58078
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Specification

The 5-(Aminomethyl)-2-thiophenecarbonitrile hydrochloride, with the CAS registry number 172349-10-9, has the molecular formula C6H6N2S.HCl. In addition, its molecular weight is 174.65. Its systematic name is called 5-(aminomethyl)thiophene-2-carbonitrile hydrochloride (1:1).

Physical properties of 5-(Aminomethyl)-2-thiophenecarbonitrile hydrochloride: (1)ACD/LogP: 0.14; (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: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 78.05 Å2; (11)Flash Point: 135.8 °C; (12)Enthalpy of Vaporization: 55.19 kJ/mol; (13)Boiling Point: 301 °C at 760 mmHg; (14)Vapour Pressure: 0.000811 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N#Cc1ccc(CN)s1
(2)InChI: InChI=1/C6H6N2S.ClH/c7-3-5-1-2-6(4-8)9-5;/h1-2H,3,7H2;1H
(3)InChIKey: ORXSASOZUVSWPV-UHFFFAOYAB