Butyl N-acetylglycinate
Basic information
- CAS
2743-44-4- Standard SMILES
CCCCOC(=O)CNC(C)=O- InChIKey
IJJLPLVWJYWZKU-UHFFFAOYSA-N- Molecular formula
- C8H15NO3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.10519334
Names & identifiers
- Preferred name
- Butyl N-acetylglycinate
- IUPAC
- butyl 2-acetamidoacetate
- English name
- butyl N-acetylglycinate
- Molecular formula
- C8H15NO3
- Molecular weight
- 173.21
Names & synonyms
Butyl N-acetylglycinate2743-44-4Glycine, N-acetyl-, butyl esterEINECS 220-376-1SCHEMBL7839050SCHEMBL11576980DTXSID80181846NS00028304N-Acetylglycine butyl ester
Database identifiers
- CAS
2743-44-4- PubChem CID
- 75970
- DTXSID
DTXSID80181846- EC Number
- 220-376-1
- Nikkaji
- J145.501J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 145 °C · 145 °C(Press: 0.9 Torr)
- Density
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- pka
- 14.62 · 14.62±0.46(Predicted)
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Compound notes
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