Basic information
- CAS
73688-70-7- Standard SMILES
C#CC[n+]1c(N)n(CC)c2ccccc21.[Br-]- InChIKey
DOUDIVRRKNMTAJ-UHFFFAOYSA-N- Molecular formula
- C12H14BrN3
- Average molar mass
- 280.16 g/mol
- Monoisotopic mass
- 279.03711
Names & identifiers
- Preferred name
- 1-Ethyl-3-(prop-2-yn-1-yl)-1,3-dihydro-2H-benzimidazol-2-imine--hydrogen bromide (1/1)
- IUPAC
- 1-ethyl-3-prop-2-ynylbenzimidazol-3-ium-2-amine bromide
Names & synonyms
73688-70-7RefChem:1055430DTXCID9014215791-Ethyl-3-(prop-2-yn-1-yl)-1,3-dihydro-2H-benzimidazol-2-imine--hydrogen bromide (1/1)DTXSID509945462-Amino-1-ethyl-3-(2-propynyl)benzimidazole bromideBENZIMIDAZOLE, 2-AMINO-1-ETHYL-3-(2-PROPYNYL)-, BROMIDE
Database identifiers
- CAS
73688-70-7- PubChem CID
- 52207
Properties
Computed structural properties
- Topological polar surface area
- 34.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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