N-benzyl-2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide
Basic information
- CAS
1000930-32-4- Standard SMILES
Cc1ccc2sc(N(Cc3ccccc3)C(=O)CCl)nc2c1C- InChIKey
MEGDDPBJSBYRRI-UHFFFAOYSA-N- Molecular formula
- C18H17ClN2OS
- Average molar mass
- 344.9 g/mol
- Monoisotopic mass
- 344.075012
Names & identifiers
- Preferred name
- N-benzyl-2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide
- IUPAC
- N-benzyl-2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide
Names & synonyms
N-benzyl-2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide1000930-32-4RefChem:829124983-289-4AKOS030690369EN300-22888G37844Z147647684
Database identifiers
- CAS
1000930-32-4- PubChem CID
- 25323219
- EC Number
- 983-289-4
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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