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171661-55-5

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Basic Information
CAS No.: 171661-55-5
Name: 2-(Aminomethyl)-5-methylthiophene hydrochloride
Molecular Structure:
Molecular Structure of 171661-55-5 (2-(Aminomethyl)-5-methylthiophene hydrochloride)
Formula: C6H10ClNS
Molecular Weight: 163.671
Synonyms: 2-Thiophenemethanamine,5-methyl-, hydrochloride (9CI);
Melting Point: 191-193°C
Boiling Point: 239.3 °C at 760 mmHg
Flash Point: 98.5 °C
Risk Codes:  Harmful:;
">  Harmful:;
Safety: 22-26-36/37/39
PSA: 54.26000
LogP: 3.01750
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Specification

The 2-Thiophenemethanamine,5-methyl-, hydrochloride (1:1), with CAS registry number 171661-55-5, has the systematic name of (5-methyl-2-thienyl)methanamine hydrochloride. Besides this, it is also called 2-(Aminomethyl)-5-methylthiophene hydrochloride. And the chemical formula of this chemical is C6H10ClNS.

Physical properties of 2-Thiophenemethanamine,5-methyl-, hydrochloride (1:1): (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 54.26 Å2; (7)Flash Point: 98.5 °C; (8)Enthalpy of Vaporization: 48.59 kJ/mol; (9)Boiling Point: 239.3 °C at 760 mmHg; (10)Vapour Pressure: 0.0325 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(s1)CN.Cl
(2)InChI: InChI=1/C6H9NS.ClH/c1-5-2-3-6(4-7)8-5;/h2-3H,4,7H2,1H3;1H
(3)InChIKey: COTMVCYERKXKDX-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H9NS.ClH/c1-5-2-3-6(4-7)8-5;/h2-3H,4,7H2,1H3;1H
(5)Std. InChIKey: COTMVCYERKXKDX-UHFFFAOYSA-N