Basic information
- CAS
31878-61-2- Standard SMILES
CC(C)NC(C)CC12CC3CC(CC(C3)C1Cl)C2.Cl- InChIKey
YORNKOJOAYSWBP-UHFFFAOYSA-N- Molecular formula
- C16H29Cl2N
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 305.1677053
Names & identifiers
- Preferred name
- 1-(2-Chloroadamantan-1-yl)-N-(propan-2-yl)propan-2-amine--hydrogen chloride (1/1)
- IUPAC
- 1-(2-chloro-1-adamantyl)-N-propan-2-ylpropan-2-amine;hydrochloride
Names & synonyms
31878-61-2DTXSID209537861-(2-Chloroadamantan-1-yl)-N-(propan-2-yl)propan-2-amine--hydrogen chloride (1/1)RefChem:1053930DTXCID301381828ADAMANTANE, 2-CHLORO-1-(2-ISOPROPYLAMINOPROPYL)-, HYDROCHLORIDE2-Propylamine, 1-(2-chloro-1-adamantyl)-N-isopropyl-, hydrochloride
Database identifiers
- CAS
31878-61-2- PubChem CID
- 35965
- DTXSID
DTXSID20953786
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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