Basic information
- CAS
879362-69-3- Standard SMILES
O=C(CCl)N(Cc1ccccc1)c1nc2c(s1)CCCC2- InChIKey
NBRWJLNIGJVUAB-UHFFFAOYSA-N- Molecular formula
- C16H17ClN2OS
- Average molar mass
- 320.8 g/mol
- Monoisotopic mass
- 320.075012
Names & identifiers
- Preferred name
- N-benzyl-2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
- IUPAC
- N-benzyl-2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
- English name
- N-Benzyl-2-chloro-N-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylacetamide
- Molecular formula
- C16H17ClN2OS
- Molecular weight
- 320.84
Names & synonyms
N-benzyl-2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide879362-69-3RefChem:829123963-768-4AKOS001270949NCGC00661642-01CS-0240524EN300-22881G40822Z147647668N-Benzyl-2-chloro-N-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylacetamideAcetamide, 2-chloro-N-(phenylmethyl)-N-(4,5,6,7-tetrahydro-2-benzothiazolyl)-
Database identifiers
- CAS
879362-69-3- PubChem CID
- 9504093
- EC Number
- 963-768-4
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 476.2 · 476.2±55.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- pka
- 3.95 · 3.95±0.20(Predicted)
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%)
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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