1,1'-Biadamantane-3,3'-diamine, N,N'-dimethyl-, dihydrochloride
Basic information
- CAS
18392-96-6- Standard SMILES
CNC12CC3CC(C1)CC(C14CC5CC(CC(NC)(C5)C1)C4)(C3)C2.Cl.Cl- InChIKey
RNCCHPONZGSGFN-UHFFFAOYSA-N- Molecular formula
- C22H38Cl2N2
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 400.2412046
Names & identifiers
- Preferred name
- 1,1'-Biadamantane-3,3'-diamine, N,N'-dimethyl-, dihydrochloride
- IUPAC
- N-methyl-3-[3-(methylamino)-1-adamantyl]adamantan-1-amine;dihydrochloride
Names & synonyms
18392-96-6N,N'-Dimethyl-1,1,'-biadamantane-3,3'-diamine dihydrochloride1,1'-BIADAMANTANE-3,3'-DIAMINE, N,N'-DIMETHYL-, DIHYDROCHLORIDERefChem:212234DTXSID50939775N~3~,N~3'~-Dimethyl[1,1'-bi(tricyclo[3.3.1.1~3,7~]decane)]-3,3'-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
18392-96-6- PubChem CID
- 29054
- DTXSID
DTXSID50939775
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 488
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Compound notes
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