Basic information
- CAS
380343-37-3- Standard SMILES
CNC1(c2ccccc2Cl)CCC/C(=C/c2cccs2)C1=O- InChIKey
KQBLYDZKTIEVTF-SEYXRHQNSA-N- Molecular formula
- C18H18ClNOS
- Average molar mass
- 331.9 g/mol
- Monoisotopic mass
- 331.0797631
Names & identifiers
- Preferred name
- 2-(2-Chlorophenyl)-2-(methylamino)-6-[(thiophen-2-yl)methylidene]cyclohexan-1-one
- IUPAC
- (6Z)-2-(2-chlorophenyl)-2-(methylamino)-6-(thiophen-2-ylmethylidene)cyclohexan-1-one
- English name
- 2-(2-Chloro-phenyl)-2-methylamino-6-thiophen-2-ylmethylene-cyclohexanone
- Molecular formula
- C18H18ClNOS
- Molecular weight
- 331.86
Names & synonyms
2-(2-chlorophenyl)-2-(methylamino)-6-[(thiophen-2-yl)methylidene]cyclohexan-1-one380343-37-3EN300-02506Z460664972-(2-Chloro-phenyl)-2-methylamino-6-thiophen-2-ylmethylene-cyclohexanone2-(2-Chlorophenyl)-2-(methylamino)-6-(thiophen-2-ylmethylidene)cyclohexan-1-one(6E)-2-(2-chlorophenyl)-2-(methylamino)-6-(thiophen-2-ylmethylidene)cyclohexan-1-one
Database identifiers
- CAS
380343-37-3- PubChem CID
- 16239079
- EC Number
- 154-925-0
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- Boiling point
- 499.127 · 499.127±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.268 · 1.268±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Store at room temperature, keep dry and cool
- pka
- 5.188 · 5.188±0.20(predicted)
- Appearance
- White to yellow Solid
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
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%)
Chemistry & industry
Suppliers3 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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