Basic information
- CAS
56795-23-4- Standard SMILES
CC(C)(C)[NH2+]CC(O)c1cc(F)c(N)c(Cl)c1.[Cl-]- InChIKey
CZJFFCHZGPFPRG-UHFFFAOYSA-N- Molecular formula
- C12H19Cl2FN2O
- Average molar mass
- 297.19 g/mol
- Monoisotopic mass
- 296.0858468
Names & identifiers
- Preferred name
- 1-(4-Amino-3-chloro-5-fluorophenyl)-2-(tert-butylamino)ethan-1-ol--hydrogen chloride (1/1)
- IUPAC
- [2-(4-amino-3-chloro-5-fluorophenyl)-2-hydroxyethyl]-tert-butylazanium chloride
Names & synonyms
56795-23-4DTXSID309722411-(4-Amino-3-chloro-5-fluorophenyl)-2-(tert-butylamino)ethan-1-ol--hydrogen chloride (1/1)RefChem:1054282DTXCID701399720Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-chloro-5-fluoro-, hydrochloride4-Amino-alpha-((tert-butylamino)methyl)-3-chloro-5-fluorobenzyl alcohol hydrochlorideBenzenemethanol, 4-amino-3-chloro-alpha-(((1,1-dimethylethyl)amino)methyl)-5-fluoro-, HCl
Database identifiers
- CAS
56795-23-4- PubChem CID
- 41998
Properties
Computed structural properties
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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