N-Methylbenzothiazol-2-amine

HCID 28160
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Basic information

CAS
16954-69-1
Standard SMILES
CNc1nc2ccccc2s1
InChIKey
QVKPPRYUGJFISN-UHFFFAOYSA-N
Molecular formula
C8H8N2S
Average molar mass
164.23 g/mol
Monoisotopic mass
164.04081926

Names & identifiers

Preferred name
N-Methylbenzothiazol-2-amine
IUPAC
N-methyl-1,3-benzothiazol-2-amine
English name
N-methylbenzothiazol-2-amine
Molecular formula
C8H8N2S
Molecular weight
164.23

Names & synonyms

N-Methylbenzothiazol-2-amineN-METHYL-2-BENZOTHIAZOLAMINERefChem:830681241-025-916954-69-1N-Methyl-1,3-benzothiazol-2-amineN-Methylbenzo[d]thiazol-2-amine2-methylaminobenzethiazole2-Benzothiazolamine, N-methyl-2-Methylaminobenzothiazole2-(N-Methylamino)benzothiazoleBenzothiazole, 2-(methylamino)-
Show more names
2-methylaminobenzthiazole2-Benzothiazolamine,N-methyl-(9CI)2-methylamineylbenzenebenzothiazoleN-METHYL-1,3-BENZOTHIAZOL-2-AMINE HYDROBROMIDE
2-(Methylamino)benzothiazoleN-(2-Benzothiazolyl)methylamineMFCD00035877BRN 0122355EINECS 241-025-92-methylamino-benzthiazole2-Benzothiazolamine, N-methyl- (9CI)benzothiazolyl-methyl-amine

Database identifiers

CAS
16954-69-1
PubChem CID
28160
DTXSID
DTXSID40168719
ChEMBL
CHEMBL2206132
UNII
2RJC7F9QX6
EC Number
241-025-9
Nikkaji
J41.950H

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
53.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure

Physicochemical properties

Melting point
140 · 140-142°
Boiling point
270.1 · 270.1±23.0 °C(Predicted)
Density
1.306 · 1.306±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
pka
4.13 · 4.13±0.10(Predicted)
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2934208090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H319-H302-H335-H315
Precautionary statements
P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers30 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
杭州东帆化学有限公司86-0571-85151182

Related reactions

2 records
New reaction record

Compound notes

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