2,4,6-Cycloheptatrien-1-one, 2-((2-(dimethylamino)ethyl)amino)-

HCID 17665

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Basic information

CAS: 2745-06-4
Standard SMILES: CN(C)CCNc1cccccc1=O
InChIKey: RZPLODMPJDDPCO-UHFFFAOYSA-N
Molecular formula: C11H16N2O
Average molar mass: 192.26 g/mol
Monoisotopic mass: 192.12626314

Names & identifiers

Preferred name: 2,4,6-Cycloheptatrien-1-one, 2-((2-(dimethylamino)ethyl)amino)-
IUPAC: 2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one

Names & synonyms

BRN 27217152-(beta-Dimethylaminoethylamino)tropone2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-((2-(DIMETHYLAMINO)ETHYL)AMINO)-2745-06-4DTXSID401818622-((2-(Dimethylamino)ethyl)amino)-2,4,6-cycloheptatrien-1-oneRefChem:245671DTXCID801043532-{[2-(dimethylamino)ethyl]amino}cyclohepta-2,4,6-trien-1-one

Database identifiers

CAS: 2745-06-4
PubChem CID: 17665
DTXSID: DTXSID40181862
Nikkaji: J78.731K

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 288

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