Basic information
- CAS
31897-90-2- Standard SMILES
Cl.c1ccc(CNCCCC23CC4CC(CC(C4)C2)C3)cc1- InChIKey
PYCJDIVWRGIZJB-UHFFFAOYSA-N- Molecular formula
- C20H30ClN
- Average molar mass
- 319.9 g/mol
- Monoisotopic mass
- 319.2066777
Names & identifiers
- Preferred name
- Adamantane, 1-(2-benzylaminopropyl)-, hydrochloride
- IUPAC
- 3-(1-adamantyl)-N-benzylpropan-1-amine;hydrochloride
Names & synonyms
ADAMANTANE, 1-(2-BENZYLAMINOPROPYL)-, HYDROCHLORIDE2-Propylamine, 1-(1-adamantyl)-N-benzyl-, hydrochloride31897-90-2DTXSID80185748RefChem:317221DTXCID201082393-(Adamantan-1-yl)-N-benzylpropan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
31897-90-2- PubChem CID
- 35987
- DTXSID
DTXSID80185748
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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