Basic information
- CAS
108283-47-2- Standard SMILES
CC(C)(C)OC(=O)[C@@H](N)CN=[N+]=[N-]- InChIKey
IODQEOZOWBWACX-YFKPBYRVSA-N- Molecular formula
- C7H14N4O2
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.11167569
Names & identifiers
- Preferred name
- Alanine, 3-azido-, tert-butyl ester, DL-
- IUPAC
- tert-butyl (2S)-2-amino-3-azidopropanoate
- English name
- Azidoalanine,tert-butylester
- Molecular formula
- C7H14N4O2
- Molecular weight
- 186.21
Names & synonyms
tert-butyl (2S)-2-amino-3-azidopropanoateAlanine, 3-azido-, tert-butyl ester, DL-2072854-25-0DL-Azidoalanine, tert-butyl estertert-Butyl 3-azido-L-alaninateDTXSID50148481EN300-28271579Azidoalanine,tert-butylestertert-butyl 2-amino-3-azidopropanoate
Database identifiers
- CAS
108283-47-2- PubChem CID
- 135705
- DTXSID
DTXSID50148481
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- pka
- 5.185 · 5.185±0.33(predicted)
- FDA UNII
- 8 S7G5I5VBL · 8S7G5I5VBL
- Toxicity
- 80 nmol/L · mic-sat 80 nmol/L MUREAV 177,27,1987
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mic-sat 80 nmol/L MUREAV 177,27,1987
Chemistry & industry
Suppliers1 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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