Basic information
- CAS
56340-28-4- Standard SMILES
CC(C)(C)[NH2+]CC(O)c1cc(F)c(N)c(C#N)c1.[Cl-]- InChIKey
FZCUPXLOELNEJK-UHFFFAOYSA-N- Molecular formula
- C13H19ClFN3O
- Average molar mass
- 287.76 g/mol
- Monoisotopic mass
- 287.1200681
Names & identifiers
- Preferred name
- Benzonitrile, 2-amino-5-(2-(tert-butylamino)-1-hydroxyethyl)-3-fluoro-, hydrochloride
- IUPAC
- [2-(4-amino-3-cyano-5-fluorophenyl)-2-hydroxyethyl]-tert-butylazanium chloride
Names & synonyms
Benzonitrile, 2-amino-5-(2-(tert-butylamino)-1-hydroxyethyl)-3-fluoro-, hydrochloride2-Amino-5-(2-(tert-butylamino)-1-hydroxyethyl)-3-fluorobenzonitrile hydrochloride56340-28-4RefChem:328004
Database identifiers
- CAS
56340-28-4- PubChem CID
- 41847
Properties
Computed structural properties
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…