Basic information
- CAS
57001-44-2- Standard SMILES
C[C@H](NO)C(=O)OC(C)(C)C- InChIKey
XAVHWCVPEVDASJ-YFKPBYRVSA-N- Molecular formula
- C7H15NO3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.10519334
Names & identifiers
- Preferred name
- tert-Butyl N-hydroxy-L-alaninate
- IUPAC
- tert-butyl (2S)-2-(hydroxyamino)propanoate
- English name
- L-Alanine, N-hydroxy-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C7H15NO3
- Molecular weight
- 161.2
Names & synonyms
57001-44-2SCHEMBL3185669tert-Butyl N-hydroxy-L-alaninateDTXSID601262986N-Hydroxy-L-alanine 1,1-dimethylethyl esterL-Alanine, N-hydroxy-, 1,1-dimethylethyl esterL-Alanine, N-hydroxy-, 1,1-dimethylethyl ester (9CI)
Database identifiers
- CAS
57001-44-2- PubChem CID
- 11630202
- DTXSID
DTXSID601262986- Nikkaji
- J2.292.165G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 234.1 · 234.1±42.0 °C(Predicted)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- pka
- 11.91 · 11.91±0.50(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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