1,3-Benzothiazol-2-ylmethylamine hydrochloride supplier

Name
1,3-Benzothiazol-2-ylmethylamine hydrochloride
EINECS
CAS No. 29198-41-2
Article Data2
CAS DataBase
Density
Solubility
Melting Point 260 °C
Formula C₈H₈N₂S^.HCl
Boiling Point 282°Cat760mmHg
Molecular Weight 200.692
Flash Point 124.4°C
Transport Information
Appearance
Safety Hazard Codes C
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols
Synonyms 2-Benzothiazolemethanamine,monohydrochloride (9CI);Benzothiazole, 2-(aminomethyl)-, monohydrochloride (8CI);[(1,3-Benzothiazol-2-yl)methyl]amine hydrochloride;
PSA 67.15000
LogP 3.25730

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

Product Name

1,3-Benzothiazol-2-ylmethylamine hydrochloride

1,3-Benzothiazol-2-ylmethylamine hydrochloride Specification

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