trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline
Basic information
- CAS
57464-39-8- Standard SMILES
CN1CCC2CC(OC(=O)c3ccc(Cl)c(Cl)c3)CCC2C1- InChIKey
AJOVZKGFRZEWHS-UHFFFAOYSA-N- Molecular formula
- C17H21Cl2NO2
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 341.0949343
Names & identifiers
- Preferred name
- trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline
- IUPAC
- (2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl) 3,4-dichlorobenzoate
Names & synonyms
57464-39-8trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinolinecis-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinolinetrans-Decahydro-2-methyl-6-isoquinolinol 3,4-dichlorobenzoate6-ISOQUINOLINOL, DECAHYDRO-2-METHYL-, 3,4-DICHLOROBENZOATE, (E)-
Database identifiers
- CAS
57464-39-8- PubChem CID
- 42362
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
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Related reactions
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Compound notes
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