Basic information
- CAS
52582-77-1- Standard SMILES
CN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1.Cl.Cl- InChIKey
BKPHTVREKNCZDU-UHFFFAOYSA-N- Molecular formula
- C17H32Cl2N2
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 334.1942544
Names & identifiers
- Preferred name
- Adamantane, 1-(2-(4-methylpiperazinyl)ethyl)-, dihydrochloride
- IUPAC
- 1-[2-(1-adamantyl)ethyl]-4-methylpiperazine;dihydrochloride
Names & synonyms
ADAMANTANE, 1-(2-(4-METHYLPIPERAZINYL)ETHYL)-, DIHYDROCHLORIDE52582-77-1DTXSID90200552Piperazine, 1-(2-(1-adamantyl)ethyl)-4-methyl-, dihydrochlorideRefChem:317218DTXCID201230431-[2-(Adamantan-1-yl)ethyl]-4-methylpiperazine--hydrogen chloride (1/2)
Database identifiers
- CAS
52582-77-1- PubChem CID
- 40418
- DTXSID
DTXSID90200552
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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