Basic information
- CAS
52582-84-0- Standard SMILES
CNCCCCC12CC3CC(CC(C3)C1)C2.Cl- InChIKey
VKRAZLAKVAQZGN-UHFFFAOYSA-N- Molecular formula
- C15H28ClN
- Average molar mass
- 257.84 g/mol
- Monoisotopic mass
- 257.1910276
Names & identifiers
- Preferred name
- Adamantane, 1-(4-methylaminobutyl)-, hydrochloride
- IUPAC
- 4-(1-adamantyl)-N-methylbutan-1-amine;hydrochloride
Names & synonyms
ADAMANTANE, 1-(4-METHYLAMINOBUTYL)-, HYDROCHLORIDEButylamine, 4-(1-adamantyl)-N-methyl-, hydrochloride52582-84-0DTXSID50200558RefChem:317234DTXCID801230494-(Adamantan-1-yl)-N-methylbutan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
52582-84-0- PubChem CID
- 40430
- DTXSID
DTXSID50200558
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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