6,6'-[Ethane-1,2-diylbis(azanediyleth-1-yl-1-ylidene)]bis(4-methylcyclohexa-2,4-dien-1-one)
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Basic information
- CAS
60630-08-2- Standard SMILES
CC(=NCCN=C(C)c1cc(C)ccc1O)c1cc(C)ccc1O- InChIKey
VMURSXBCHMOQIJ-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.18377801
Names & identifiers
- Preferred name
- 6,6'-[Ethane-1,2-diylbis(azanediyleth-1-yl-1-ylidene)]bis(4-methylcyclohexa-2,4-dien-1-one)
- IUPAC
- 2-[N-[2-[1-(2-hydroxy-5-methylphenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-methylphenol
- English name
- 4-methyl-6-[1-[2-[1-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)ethyla mino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one
- Molecular formula
- C20H24N2O2
- Molecular weight
- 324.42
Names & synonyms
60630-08-2NSC362150DTXSID80419590NSC-3621506,6'-[Ethane-1,2-diylbis(azanediyleth-1-yl-1-ylidene)]bis(4-methylcyclohexa-2,4-dien-1-one)4,4'-Dimethyl-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethylidyne]diphenol6,6'-[Ethane-1,2-diylbis(azanediylethan-1-yl-1-ylidene)]bis(4-methylcyclohexa-2,4-dien-1-one)Phenol, 2,2'-[1,2-ethanediylbis(nitriloethylidyne)]bis[4-methyl-N,N'-bis-ethylenediamine4-methyl-6-[1-[2-[1-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)ethyla mino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
60630-08-2- PubChem CID
- 338704
- DTXSID
DTXSID80419590- Nikkaji
- J1.917.305D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- Melting point
- 198 °C · 198 °C(Solvent: Ethanol)
- Boiling point
- 464.547 · 464.547±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.089 · 1.089±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.161 · 9.161±0.48(predicted)
Related reactions
0 records
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Compound notes
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