Basic information
- CAS
76170-89-3- Standard SMILES
CONC(C)(C)C(=O)OC- InChIKey
SEMMYXYYYOBKBJ-UHFFFAOYSA-N- Molecular formula
- C6H13NO3
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.08954328
Names & identifiers
- Preferred name
- Methyl 2-(methoxyamino)-2-methylpropanoate
- IUPAC
- methyl 2-(methoxyamino)-2-methylpropanoate
- English name
- Alanine, N-methoxy-2-methyl-, methyl ester (9CI)
- Molecular formula
- C6H13NO3
- Molecular weight
- 147.17
Names & synonyms
Methyl 2-(methoxyamino)-2-methylpropanoate76170-89-3DTXSID10339959RefChem:353957DTXCID30291040methyl a-methoxyaminoisobutyrateSEMMYXYYYOBKBJ-UHFFFAOYSA-NMethyl N-methoxy-2-methylalaninateMethyl 2-methyl-2-(methoxy)amino-propanoateMethyl 2-(methoxyamino)-2-methylpropanoate #Alanine, N-methoxy-2-methyl-, methyl ester (9CI)
Database identifiers
- CAS
76170-89-3- PubChem CID
- 560321
- DTXSID
DTXSID10339959
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 56 °C · 56 °C(Press: 13 Torr)
- Density
- 1.006 · 1.006±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.842 · 1.842±0.70(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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