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4-Methyl-5-thiazoleethanamine hydrochloride (17928-09-5)

Identification
Name:4-Methyl-5-thiazoleethanamine hydrochloride
Synonyms:5-(2-Aminoethyl)-4-methylthiazole monohydrochloride
CAS:17928-09-5
Molecular Formula: C6H10N2S.HCl
Molecular Weight: 178.68
InChI: InChI=1/C6H10N2S.ClH/c1-5-6(2-3-7)9-4-8-5;/h4H,2-3,7H2,1H3;1H
Molecular Structure: (C6H10N2S.HCl) 5-(2-Aminoethyl)-4-methylthiazole monohydrochloride
Properties
Flash Point: 101.9°C
Boiling Point: 244.8°C at 760 mmHg
Specification:

The 4-Methyl-5-thiazoleethanamine hydrochloride with the CAS number is also called 5-(2-Aminoethyl)-4-methylthiazole hydrochloride. The IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethanamine hydrochloride. Its molecular formula is C6H10N2S.HCl. The classification code is Drug / Therapeutic Agent.

The properties of the 4-Methyl-5-thiazoleethanamine hydrochloride are: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 44.37 Å2; (7)Flash Point: 101.9 °C; (8)Enthalpy of Vaporization: 48.19 kJ/mol; (9)Boiling Point: 244.8 °C at 760 mmHg; (10)Vapour Pressure: 0.0297 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.n1c(c(sc1)CCN)C
(2)InChI: InChI=1/C6H10N2S.ClH/c1-5-6(2-3-7)9-4-8-5;/h4H,2-3,7H2,1H3;1H
(3)InChIKey: LUKLCJGBQDHGRL-UHFFFAOYAV

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Acta Pharmaceutica Suecica. Vol. 4, Pg. 269, 1967.

Flash Point: 101.9°C
Safety Data
 

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