Basic information
- CAS
31897-85-5- Standard SMILES
CC(CC12CC3(C)CC(C)(CC(C)(C3)C1Cl)C2)N(C)C.Cl- InChIKey
GGOYNTDJWDKZSC-UHFFFAOYSA-N- Molecular formula
- C18H33Cl2N
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 333.1990054
Names & identifiers
- Preferred name
- 1-(2-Chloro-3,5,7-trimethyladamantan-1-yl)-N,N-dimethylpropan-2-amine--hydrogen chloride (1/1)
- IUPAC
- 1-(2-chloro-3,5,7-trimethyl-1-adamantyl)-N,N-dimethylpropan-2-amine;hydrochloride
Names & synonyms
31897-85-5DTXSID009538051-(2-Chloro-3,5,7-trimethyladamantan-1-yl)-N,N-dimethylpropan-2-amine--hydrogen chloride (1/1)RefChem:1053925DTXCID101381846ADAMANTANE, 2-CHLORO-1-(2-DIMETHYLAMINOPROPYL)-3,5,7-TRIMETHYL-, HYDROCHLORIDE2-Propylamine, 1-(2-chloro-5,7-dimethyl-3-methyl-1-adamantyl)-N,N-dimethyl-, hydrochloride
Database identifiers
- CAS
31897-85-5- PubChem CID
- 35979
- DTXSID
DTXSID00953805
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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