Basic information
- CAS
18220-69-4- Standard SMILES
CNC12CC3CC(C1)CC(C14CC5CC(CC(NC)(C5)C1)C4)(C3)C2- InChIKey
RFZPLLLYXVWISV-UHFFFAOYSA-N- Molecular formula
- C22H36N2
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.28784916
Names & identifiers
- Preferred name
- (1,1'-Bitricyclo(3.3.1.13,7)decane)-1,1'-diamine, N1,N1'-dimethyl-
- IUPAC
- N-methyl-3-[3-(methylamino)-1-adamantyl]adamantan-1-amine
- English name
- N,N'-Dimethyl-1,1'-biadamantane-3,3'-diamine
- Molecular formula
- C22H36N2
- Molecular weight
- 328.54
Names & synonyms
18220-69-4RefChem:1049187(1,1'-Bitricyclo(3.3.1.13,7)decane)-1,1'-diamine, N1,N1'-dimethyl-N,N'-Dimethyl-1,1'-biadamantane-3,3'-diamineN-methyl-3-[3-(methylamino)-1-adamantyl]adamantan-1-amineBRN 28544981,1'-BIADAMANTANE-3,3'-DIAMINE, N,N'-DIMETHYL-DTXSID609395443,3'-bis(N-methyl-amino)-[1,1'-biadamantane]N~3~,N~3'~-Dimethyl[1,1'-bi(tricyclo[3.3.1.1~3,7~]decane)]-3,3'-diamineN-methyl-3-[3-(methylamino)-1-adamantyl]-1-adamantanamine[1,1'-Bitricyclo[3.3.1.13,7]decane]-1,1'-diamine, N1,N1'-dimethyl-
Database identifiers
- CAS
18220-69-4- PubChem CID
- 28967
- DTXSID
DTXSID60939544
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Boiling point
- 388.6 · 388.6±10.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 11.58 · 11.58±0.40(Predicted)
Chemistry & industry
Suppliers1 total
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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