2,6-Bis(4-dimethylaminobenzylidene)cyclohexanone
Basic information
- CAS
18977-38-3- Standard SMILES
CN(C)c1ccc(C=C2CCCC(=Cc3ccc(N(C)C)cc3)C2=O)cc1- InChIKey
XRJCFZUOXQVWGF-UHFFFAOYSA-N- Molecular formula
- C24H28N2O
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.22016352
Names & identifiers
- Preferred name
- 2,6-Bis(4-dimethylaminobenzylidene)cyclohexanone
- IUPAC
- 2,6-bis[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
- English name
- 2-((E)-4-(dimethylamino)benzylidene)-6-((Z)-4-(dimethylamino)benzylidene)cyclohexan-1-one
- Molecular formula
- C24H28N2O
- Molecular weight
- 360.49
Names & synonyms
18977-38-32,6-bis(4-dimethylaminobenzylidene)cyclohexanoneRefChem:2480242,6-Bis{[4-(dimethylamino)phenyl]methylidene}cyclohexan-1-one(2Z,6E)-2,6-BIS({[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE})CYCLOHEXAN-1-ONEMaybridge1_003391SCHEMBL815092DTXSID901240420H648852,6-bis(4-dimethylamino-benzylidene)-cyclo-hexanone2,6-BIS(4-(DIMETHYLAMINO)BENZYLIDENE)CYCLOHEXAN-1-ONE2,6-BIS(4-(DIMETHYLAMINO)BENZYLIDENE)-1-CYCLOHEXANONE
Show more names
Cyclohexanone, 2,6-bis[[4-(dimethylamino)phenyl]methylene]-2-((E)-4-(dimethylamino)benzylidene)-6-((Z)-4-(dimethylamino)benzylidene)cyclohexan-1-one
Database identifiers
- CAS
18977-38-3- PubChem CID
- 234041
- DTXSID
DTXSID901240420- EC Number
- 662-238-7
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Melting point
- 82 · 82-84 °C(Solv: N,N-dimethylformamide (68-12-2))
- Boiling point
- 572.4 · 572.4±50.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- pka
- 5.13 · 5.13±0.24(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H302-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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