9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride
Basic information
- CAS
29389-49-9- Standard SMILES
Cc1cccc(Cl)c1NC(=O)OC1C[C@H]2CCC[C@@H](C1)N2C.Cl- InChIKey
AUICEHWXGNTUEI-LIWIJTDLSA-N- Molecular formula
- C17H24Cl2N2O2
- Average molar mass
- 359.3 g/mol
- Monoisotopic mass
- 358.1214834
Names & identifiers
- Preferred name
- 9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride
- IUPAC
- [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] N-(2-chloro-6-methylphenyl)carbamate;hydrochloride
Names & synonyms
9-Methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochlorideGranatoline, 9-methyl-, 2-chloro-6-methylcarbanilate (ester), monohydrochloride29389-49-9
Database identifiers
- CAS
29389-49-9- PubChem CID
- 207229
Properties
Computed structural properties
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
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Compound notes
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