2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride
Basic information
- CAS
18189-47-4- Standard SMILES
CC[NH+](CC)CC[NH2+]c1cccccc1=O.[Cl-].[Cl-]- InChIKey
UTSDPVDIACMPKL-UHFFFAOYSA-N- Molecular formula
- C13H22Cl2N2O
- Average molar mass
- 293.23 g/mol
- Monoisotopic mass
- 292.1109187
Names & identifiers
- Preferred name
- 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride
- IUPAC
- diethyl-[2-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]ethyl]azanium dichloride
Names & synonyms
2-(beta-Diethylaminoethylamino)tropone dihydrochloride2-((2-(Diethylamino)ethyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-((2-(DIETHYLAMINO)ETHYL)AMINO)-, DIHYDROCHLORIDE18189-47-4RefChem:245669
Database identifiers
- CAS
18189-47-4- PubChem CID
- 28948
Properties
Computed structural properties
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
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Compound notes
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