Basic information
- CAS
42882-73-5- Standard SMILES
O.OC(C[NH2+]CCC[NH+]1CCOCC1)c1ccc2c(c1)CCCCC2.[Cl-].[Cl-]- InChIKey
XJGWCNDEZIMALZ-UHFFFAOYSA-N- Molecular formula
- C20H36Cl2N2O3
- Average molar mass
- 423.4 g/mol
- Monoisotopic mass
- 422.2102984
Names & identifiers
- Preferred name
- 5H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-(((3-(4-morpholinyl)propyl)amino)methyl)-, dihydrochloride
- IUPAC
- [2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium;dichloride;hydrate
Names & synonyms
42882-73-55H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-(((3-(4-morpholinyl)propyl)amino)methyl)-, dihydrochlorideRefChem:305363
Database identifiers
- CAS
42882-73-5- PubChem CID
- 39349
Properties
Computed structural properties
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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