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| Name |
4-Methyl-5-thiazoleethanamine hydrochloride |
EINECS | N/A |
| CAS No. | 17928-09-5 | Density | N/A |
| PSA | 67.15000 | LogP | 2.45500 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H10N2S.HCl | Boiling Point | 244.8 °C at 760 mmHg |
| Molecular Weight | 178.686 | Flash Point | 101.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-(4-methyl-1,3-thiazol-5-yl)ethanamine hydrochloride;5-(2-Aminoethyl)-4-methylthiazole hydrochloride;Thiazole, 5-(2-aminoethyl)-4-methyl-, hydrochloride; |
4-Methyl-5-thiazoleethanamine hydrochloride 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. |
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