Basic information
- CAS
80785-17-7- Standard SMILES
CC(C)[NH+](CCOc1ccc(NC(=[NH+]c2ccc(F)cc2)c2ccccc2)cc1)C(C)C.[Br-].[Br-]- InChIKey
HFKDIJWXCBQSQP-UHFFFAOYSA-N- Molecular formula
- C27H34Br2FN3O
- Average molar mass
- 595.4 g/mol
- Monoisotopic mass
- 593.10527
Names & identifiers
- Preferred name
- Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-(p-fluorophenyl)-, dihydrobromide
- IUPAC
- 2-[4-[[(4-fluorophenyl)azaniumylidene-phenylmethyl]amino]phenoxy]ethyl-di(propan-2-yl)azanium dibromide
Names & synonyms
80785-17-7Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-(p-fluorophenyl)-, dihydrobromideN-(p-(2-(Diisopropylamino)ethoxy)phenyl)-N'-(p-fluorophenyl)benzamidine dihydrobromideRefChem:322664
Database identifiers
- CAS
80785-17-7- PubChem CID
- 54656
Properties
Computed structural properties
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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