Basic information
- CAS
66171-53-7- Standard SMILES
CC(C)(C)OC(=O)C(C)([NH3+])c1cccc(Cl)c1.[Cl-]- InChIKey
POLQTYGQQXYARV-UHFFFAOYSA-N- Molecular formula
- C13H19Cl2NO2
- Average molar mass
- 292.2 g/mol
- Monoisotopic mass
- 291.0792842
Names & identifiers
- Preferred name
- tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1)
- IUPAC
- [2-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]azanium chloride
Names & synonyms
66171-53-7DTXSID00984659tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1)RefChem:1099508DTXCID8014118702-(3-Chlorophenyl)-1,1-dimethylethyl 2-aminopropanoate hydrochlorideALANINE, 2-(3-CHLOROPHENYL)-1,1-DIMETHYLETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66171-53-7- PubChem CID
- 47841
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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