N-methyl-2-(1-adamantyl)imidazole
Basic information
- CAS
77139-82-3- Standard SMILES
Cn1ccnc1C12CC3CC(CC(C3)C1)C2- InChIKey
CBRRJMLAAUIMIX-UHFFFAOYSA-N- Molecular formula
- C14H20N2
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.16264865
Names & identifiers
- Preferred name
- N-methyl-2-(1-adamantyl)imidazole
- IUPAC
- 2-(1-adamantyl)-1-methylimidazole
- English name
- N-methyl-2-(1-adamantyl)imidazole
- Molecular formula
- C14H20N2
- Molecular weight
- 216.32
Names & synonyms
N-Methyl-2-(1-adamantyl)imidazole77139-82-3DTXSID602279131H-Imidazole, 1-methyl-2-tricyclo(3.3.1.13,7)dec-1-yl-RefChem:163687M-2-ADIDTXCID10150404Imidazole, 2-(1-adamantyl)-1-methyl-SCHEMBL272169792-(ADAMANTAN-1-YL)-1-METHYL-1H-IMIDAZOLE
Database identifiers
- CAS
77139-82-3- PubChem CID
- 64502
- DTXSID
DTXSID60227913- Nikkaji
- J86.799C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 368.5 · 368.500±11.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.32 · 1.320±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.507 · 7.507±0.25(predicted)
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Compound notes
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