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Cas Database |
| Name |
1,3-Benzothiazol-2-ylmethylamine hydrochloride |
EINECS | N/A | ||
| CAS No. | 29198-41-2 | Density | N/A | ||
| PSA | 67.15000 | LogP | 3.25730 | ||
| Solubility | N/A | Melting Point |
260 °C |
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| Formula | C8H8N2S.HCl | Boiling Point | 282°Cat760mmHg | ||
| Molecular Weight | 200.692 | Flash Point | 124.4°C | ||
| Transport Information | N/A | Appearance | N/A | ||
| Safety |
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Risk Codes |
 C:Corrosive; |
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| Molecular Structure |
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Hazard Symbols |
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| Synonyms |
2-Benzothiazolemethanamine,monohydrochloride (9CI);Benzothiazole, 2-(aminomethyl)-, monohydrochloride (8CI);[(1,3-Benzothiazol-2-yl)methyl]amine hydrochloride; |
Article Data | 2 |
1,3-Benzothiazol-2-ylmethylamine hydrochloride Specification
The 1,3-Benzothiazol-2-ylmethylamine hydrochloride with cas registry number of 29198-41-2, has the systematic name of 1-(1,3-benzothiazol-2-yl)methanamine hydrochloride. And it is also named 2-benzothiazolemethanamine, hydrochloride (1:1).
Physical properties about this chemical are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.25; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.21; (7)ACD/KOC (pH 5.5): 2.36; (8)ACD/KOC (pH 7.4): 92.16; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.37 Å2; (13)Enthalpy of Vaporization: 52.09 kJ/mol; (14)Vapour Pressure: 0.00344 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.n1c2ccccc2sc1CN;
(2)InChI: InChI=1/C8H8N2S.ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-4H,5,9H2;1H;
(3)InChIKey: WCZDQDCFSDCIIC-UHFFFAOYAC;
(4)Std. InChI: InChI=1S/C8H8N2S.ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-4H,5,9H2;1H;
(5)Std. InChIKey: WCZDQDCFSDCIIC-UHFFFAOYSA-N
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