2,4,6-Cycloheptatrien-1-one, 2-((2-(diisopropylamino)ethyl)amino)-, dihydrochloride
Basic information
- CAS
18189-48-5- Standard SMILES
CC(C)[NH+](CC[NH2+]c1cccccc1=O)C(C)C.[Cl-].[Cl-]- InChIKey
SDSLZDZVUFROFW-UHFFFAOYSA-N- Molecular formula
- C15H26Cl2N2O
- Average molar mass
- 321.3 g/mol
- Monoisotopic mass
- 320.1422188
Names & identifiers
- Preferred name
- 2,4,6-Cycloheptatrien-1-one, 2-((2-(diisopropylamino)ethyl)amino)-, dihydrochloride
- IUPAC
- 2-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]ethyl-di(propan-2-yl)azanium dichloride
Names & synonyms
2,4,6-Cycloheptatrien-1-one, 2-((2-(diisopropylamino)ethyl)amino)-, dihydrochloride18189-48-52-((2-(Diisopropylamino)ethyl)amino)tropone dihydrochloride2-((2-(Diisopropylamino)ethyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochlorideRefChem:245670
Database identifiers
- CAS
18189-48-5- PubChem CID
- 28950
Properties
Computed structural properties
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
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Compound notes
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