2,4,6-Cycloheptatrien-1-one, 2-((3-(diethylamino)propyl)amino)-, dihydrochloride
Basic information
- CAS
15499-13-5- Standard SMILES
CC[NH+](CC)CCC[NH2+]c1cccccc1=O.[Cl-].[Cl-]- InChIKey
ARERGCYTNFQRJW-UHFFFAOYSA-N- Molecular formula
- C14H24Cl2N2O
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 306.1265688
Names & identifiers
- Preferred name
- 2,4,6-Cycloheptatrien-1-one, 2-((3-(diethylamino)propyl)amino)-, dihydrochloride
- IUPAC
- diethyl-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]propyl]azanium dichloride
Names & synonyms
2-((3-(Diethylamino)propyl)amino)tropone dihydrochloride2-((3-(Diethylamino)propyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-((3-(DIETHYLAMINO)PROPYL)AMINO)-, DIHYDROCHLORIDE15499-13-5RefChem:245674
Database identifiers
- CAS
15499-13-5- PubChem CID
- 27346
Properties
Computed structural properties
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
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Compound notes
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