2,4,6-Cycloheptatrien-1-one, 2-((3-(dimethylamino)propyl)amino)-, dihydrochloride
Basic information
- CAS
18189-51-0- Standard SMILES
C[NH+](C)CCC[NH2+]c1cccccc1=O.[Cl-].[Cl-]- InChIKey
XLTQYTBIIJXATJ-UHFFFAOYSA-N- Molecular formula
- C12H20Cl2N2O
- Average molar mass
- 279.2 g/mol
- Monoisotopic mass
- 278.0952687
Names & identifiers
- Preferred name
- 2,4,6-Cycloheptatrien-1-one, 2-((3-(dimethylamino)propyl)amino)-, dihydrochloride
- IUPAC
- dimethyl-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]propyl]azanium dichloride
Names & synonyms
2-(3-Dimethylaminopropylamino)tropone dihydrochloride2-((3-(Dimethylamino)propyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride2,4,6-Cycloheptatrien-1-one, 2-((3-(dimethylamino)propyl)amino)-, dihydrochloride18189-51-0RefChem:245675
Database identifiers
- CAS
18189-51-0- PubChem CID
- 28956
Properties
Computed structural properties
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…