1,3-benzothiazol-2-ylmethylamine - CAS 42182-65-0

Catalog:	BB053568
Product Name:	1,3-benzothiazol-2-ylmethylamine
CAS:	42182-65-0
Synonyms:	Benzo[d]thiazol-2-ylmethanamine; 2-Benzothiazolemethanamine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1,3-benzothiazol-2-ylmethanamine
Molecular Weight:	164.23
Molecular Formula:	C8H8N2S
Canonical SMILES:	C1=CC=C2C(=C1)N=C(S2)CN
InChI:	InChI=1S/C8H8N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2
InChI Key:	VLBUERZRFSORRZ-UHFFFAOYSA-N
Boiling Point:	282.0±23.0 °C at 760 mmHg
Purity:	95%
Density:	1.3±0.1 g/cm3
Appearance:	Solid

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Related Functional Groups

Amines and Anilines

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[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[42150-24-3]
2-(4-Pyrazolyl)ethylamine

Benzoxazole/Benzothiazole

[20712-11-2]
6-Nitrobenzo[c]isothiazole
[1326714-98-0]
4-Bromobenzo[d]isothiazole
[1855907-41-3]
6-(2,2,3,3-Tetrafluoropropoxy)-1,3-benzothiazol-2-amine
[139549-26-1]
2-(Chloromethyl)-7-methylbenzoxazole
[329222-92-6]
Propyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
[67982-15-4]
Benzo[d]isothiazol-4-ol

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.04081944
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.04081944
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5