Basic information
- CAS
1049778-22-4- Standard SMILES
CN(C)CCN1N=Nc2cccc3cccc1c23.Cl- InChIKey
VIVVUMSGBJIYBN-UHFFFAOYSA-N- Molecular formula
- C14H17ClN4
- Average molar mass
- 276.76 g/mol
- Monoisotopic mass
- 276.1141743
Names & identifiers
- Preferred name
- N,N-dimethyl-2-(2,3,4-triazatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-2-yl)ethanamine;hydrochloride
- IUPAC
- N,N-dimethyl-2-(2,3,4-triazatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-2-yl)ethanamine;hydrochloride
Names & synonyms
NSC641275CHEMBL1968359NSC-641275
Database identifiers
- CAS
1049778-22-4- PubChem CID
- 369493
- ChEMBL
CHEMBL1968359
Properties
Computed structural properties
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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