Basic information
- CAS
52673-66-2- Standard SMILES
CC(CC12CC3CC(C1)CC(CC(C)N(C)C)(C3)C2)N(C)C.Cl.Cl- InChIKey
VBJPLMJXXYLNKP-UHFFFAOYSA-N- Molecular formula
- C20H40Cl2N2
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 378.2568547
Names & identifiers
- Preferred name
- Adamantane, 1,3-bis(2-dimethylaminopropyl)-, dihydrochloride
- IUPAC
- 1-[3-[2-(dimethylamino)propyl]-1-adamantyl]-N,N-dimethylpropan-2-amine;dihydrochloride
Names & synonyms
1,3-Bis(2-dimethylaminopropyl)adamantane dihydrochloride52673-66-2ADAMANTANE, 1,3-BIS(2-DIMETHYLAMINOPROPYL)-, DIHYDROCHLORIDERefChem:317209DTXSID109671151,1'-(Tricyclo[3.3.1.1~3,7~]decane-1,3-diyl)bis(N,N-dimethylpropan-2-amine)--hydrogen chloride (1/2)
Database identifiers
- CAS
52673-66-2- PubChem CID
- 40490
- DTXSID
DTXSID10967115
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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