4-[(3,4-Dichlorophenyl)methylidene]-1,7-bis(dimethylamino)heptane-3,5-dione

HCID 54598577

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Basic information

CAS: 87497-26-5
Standard SMILES: CN(C)CCC(=O)C(=Cc1ccc(Cl)c(Cl)c1)C(=O)CCN(C)C.Cl
InChIKey: MJXGWDBFMBMGHZ-UHFFFAOYSA-N
Molecular formula: C18H25Cl3N2O2
Average molar mass: 407.8 g/mol
Monoisotopic mass: 406.098161

Names & identifiers

Preferred name: 4-[(3,4-Dichlorophenyl)methylidene]-1,7-bis(dimethylamino)heptane-3,5-dione
IUPAC: 4-[(3,4-dichlorophenyl)methylidene]-1,7-bis(dimethylamino)heptane-3,5-dione;hydrochloride

Names & synonyms

87497-26-5DTXSID70712502NSC340308NSC-3403084-[(3,4-Dichlorophenyl)methylidene]-1,7-bis(dimethylamino)heptane-3,5-dione--hydrogen chloride (1/1)DS-0146704-[(3,4-dichlorophenyl)methylidene]-1,7-bis(dimethylamino)heptane-3,5-dione

Database identifiers

CAS: 87497-26-5
PubChem CID: 54598577
DTXSID: DTXSID70712502

Properties

Computed structural properties

Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 25
Formal charge: 0
Complexity: 438

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