4-[(E)-{[4-(Diethylamino)phenyl]methylidene}amino]benzoic acid
Basic information
- CAS
64518-99-6- Standard SMILES
CCN(CC)c1ccc(C=Nc2ccc(C(=O)O)cc2)cc1- InChIKey
LROSVNOAGKRHAE-UHFFFAOYSA-N- Molecular formula
- C18H20N2O2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.15247789
Names & identifiers
- Preferred name
- 4-[(E)-{[4-(Diethylamino)phenyl]methylidene}amino]benzoic acid
- IUPAC
- 4-[[4-(diethylamino)phenyl]methylideneamino]benzoic acid
Names & synonyms
64518-99-64-[[4-(diethylamino)phenyl]methylideneamino]benzoic acidNSC170044-[(E)-{[4-(Diethylamino)phenyl]methylidene}amino]benzoic acidOprea1_498251DTXSID802804644-({[4-(DIETHYLAMINO)PHENYL]METHYLIDENE}AMINO)BENZOIC ACIDNSC-17004STK670720AKOS001711737ST4015439EU-0051012
Show more names
ST453772834-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}benzoic acid4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)benzoic acid
Database identifiers
- CAS
64518-99-6- PubChem CID
- 226497
- DTXSID
DTXSID80280464- Nikkaji
- J3.520.016I、J3.537.230J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
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Related reactions
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Compound notes
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