Basic information
- CAS
18189-49-6- Standard SMILES
O=c1cccccc1[NH2+]CC[NH+]1CCOCC1.[Cl-].[Cl-]- InChIKey
OVQDUYMSWLDEJO-UHFFFAOYSA-N- Molecular formula
- C13H20Cl2N2O2
- Average molar mass
- 307.21 g/mol
- Monoisotopic mass
- 306.0901833
Names & identifiers
- Preferred name
- 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride
- IUPAC
- 2-morpholin-4-ium-4-ylethyl-(7-oxocyclohepta-1,3,5-trien-1-yl)azanium dichloride
Names & synonyms
2-(beta-Morpholinoethylamino)tropone dihydrochloride2-((2-Morpholinoethyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-((2-MORPHOLINOETHYL)AMINO)-, DIHYDROCHLORIDE18189-49-6RefChem:245672
Database identifiers
- CAS
18189-49-6- PubChem CID
- 28952
Properties
Computed structural properties
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…