Basic information
- CAS
52582-85-1- Standard SMILES
CN(C)CCCCC12CC3CC(CC(C3)C1)C2.Cl- InChIKey
VGRCKKUXCQQONQ-UHFFFAOYSA-N- Molecular formula
- C16H30ClN
- Average molar mass
- 271.9 g/mol
- Monoisotopic mass
- 271.2066777
Names & identifiers
- Preferred name
- Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride
- IUPAC
- 4-(1-adamantyl)-N,N-dimethylbutan-1-amine;hydrochloride
Names & synonyms
ADAMANTANE, 1-(4-DIMETHYLAMINOBUTYL)-, HYDROCHLORIDE52582-85-1Butylamine, 4-(1-adamantyl)-N,N-dimethyl-, hydrochlorideDTXSID10200559RefChem:317233DTXCID901230504-(Adamantan-1-yl)-N,N-dimethylbutan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
52582-85-1- PubChem CID
- 40432
- DTXSID
DTXSID10200559
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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