1,7-Bis(dimethylamino)-4-(4-hydroxybenzylidene)-3,5-heptanedione
Basic information
- CAS
87497-28-7- Standard SMILES
CN(C)CCC(=O)C(=Cc1ccc(O)cc1)C(=O)CCN(C)C- InChIKey
MZIXAUGYHJEFFF-UHFFFAOYSA-N- Molecular formula
- C18H26N2O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.1943427
Names & identifiers
- Preferred name
- 1,7-Bis(dimethylamino)-4-(4-hydroxybenzylidene)-3,5-heptanedione
- IUPAC
- 1,7-bis(dimethylamino)-4-[(4-hydroxyphenyl)methylidene]heptane-3,5-dione
Names & synonyms
1,7-Bis(dimethylamino)-4-(4-hydroxybenzylidene)-3,5-heptanedione87497-28-7NSC 340307NSC340307DTXSID50236357X22KCQ79471,7-bis(dimethylamino)-4-[(4-hydroxyphenyl)methylidene]heptane-3,5-dioneDS-0084881,7-bis(dimethylamino)-4-[(4-hydroxyphenyl)methylene]heptane-3,5-dione3,5-Heptanedione, 1,7-bis(dimethylamino)-4-[(4-hydroxyphenyl)methylene]-3,5-Heptanedione, 1, {7-bis(dimethylamino)-4-[(4-hydroxyphenyl)methylene]-,} dihydrochloride5-(DIMETHYLAMINO)-2-[3-(DIMETHYLAMINO)PROPANOYL]-1-(4-HYDROXYPHENYL)PENT-1-EN-3-ONE
Show more names
87497-42-5
Database identifiers
- CAS
87497-28-7、87497-42-5- PubChem CID
- 433998
- DTXSID
DTXSID50236357- UNII
- X22KCQ7947
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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