2-(2-Chlorophenyl)-2-(methylamino)-6-(phenylmethylidene)cyclohexan-1-one
Basic information
- CAS
790272-28-5- Standard SMILES
CNC1(c2ccccc2Cl)CCC/C(=C/c2ccccc2)C1=O- InChIKey
NMIRKZWCHKQRAV-PEZBUJJGSA-N- Molecular formula
- C20H20ClNO
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.123342
Names & identifiers
- Preferred name
- 2-(2-Chlorophenyl)-2-(methylamino)-6-(phenylmethylidene)cyclohexan-1-one
- IUPAC
- (6Z)-6-benzylidene-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
- English name
- 6-Benzylidene-2-(2-chloro-phenyl)-2-methylamino-cyclohexanone
- Molecular formula
- C20H20ClNO
- Molecular weight
- 325.83
Names & synonyms
2-(2-chlorophenyl)-2-(methylamino)-6-(phenylmethylidene)cyclohexan-1-one790272-28-5EN300-02738G32481Z46066500(6Z)-6-benzylidene-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one6-Benzylidene-2-(2-chloro-phenyl)-2-methylamino-cyclohexanone6-benzylidene-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one2-(2-Chlorophenyl)-2-(methylamino)-6-(phenylmethylene)cyclohexanone(6E)-6-benzylidene-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
Database identifiers
- CAS
790272-28-5- PubChem CID
- 45840792
- EC Number
- 129-955-2
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Boiling point
- 491.976 · 491.976±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.2 · 1.200±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.675 · 5.675±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
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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