Basic information
- CAS
52583-06-9- Standard SMILES
CNC(C)CC12CC3(C)CC(C)(CC(C)(C3)C1Cl)C2.Cl- InChIKey
VULLGYXKPUCSEU-UHFFFAOYSA-N- Molecular formula
- C17H31Cl2N
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 319.1833554
Names & identifiers
- Preferred name
- 1-(2-Chloro-3,5,7-trimethyladamantan-1-yl)-N-methylpropan-2-amine--hydrogen chloride (1/1)
- IUPAC
- 1-(2-chloro-3,5,7-trimethyl-1-adamantyl)-N-methylpropan-2-amine;hydrochloride
Names & synonyms
52583-06-9DTXSID709670151-(2-Chloro-3,5,7-trimethyladamantan-1-yl)-N-methylpropan-2-amine--hydrogen chloride (1/1)RefChem:1053926DTXCID701394625ADAMANTANE, 2-CHLORO-1-(2-METHYLAMINOPROPYL)-3,5,7-TRIMETHYL-, HYDROCHLORIDE2-Propylamine, 1-(2-chloro-5,7-dimethyl-3-methyl-1-adamantyl)-N-methyl-, hydrochloride
Database identifiers
- CAS
52583-06-9- PubChem CID
- 40448
- DTXSID
DTXSID70967015
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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