Basic information
- CAS
36170-25-9- Standard SMILES
CC(C)c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCOCC2)c(O)c1=O.[Cl-].[Cl-]- InChIKey
IPNDWAYKBVVIBI-UHFFFAOYSA-N- Molecular formula
- C20H32Cl2N2O4
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 434.1739129
Names & identifiers
- Preferred name
- 2,4,6-Cycloheptatrien-1-one, 5,7-bis(morpholinomethyl)-2-hydroxy-3-isopropyl-, dihydrochloride
- IUPAC
- 2-hydroxy-3,5-bis(morpholin-4-ium-4-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one dichloride
Names & synonyms
2,4,6-Cycloheptatrien-1-one, 5,7-bis(morpholinomethyl)-2-hydroxy-3-isopropyl-, dihydrochlorideRefChem:10596115,7-Bis(morpholinomethyl)-2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one dihydrochloride36170-25-9IDMT3-Isopropyl-5,7-dimorpholinomethyltropolone dihydrochloride2-hydroxy-3,5-bis(morpholin-4-ium-4-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one;dichloride
Database identifiers
- CAS
36170-25-9- PubChem CID
- 37397
Properties
Computed structural properties
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 609
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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