Basic information
- CAS
2161-21-9- Standard SMILES
CN(C)c1nc2cccccc-2n1- InChIKey
MUSSAIHTXTYOSV-UHFFFAOYSA-N- Molecular formula
- C10H11N3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.09529736
Names & identifiers
- Preferred name
- Cycloheptimidazole, 2-(dimethylamino)-
- IUPAC
- N,N-dimethylcyclohepta[d]imidazol-2-amine
Names & synonyms
CYCLOHEPTIMIDAZOLE, 2-(DIMETHYLAMINO)-2161-21-9N,N-dimethylcyclohepta[d]imidazol-2-amineBRN 01328262-(Dimethylamino)-cycloheptimidazoleDTXSID301759925-25-11-00089 (Beilstein Handbook Reference)
Database identifiers
- CAS
2161-21-9- PubChem CID
- 16545
- DTXSID
DTXSID30175992- Nikkaji
- J78.732I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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