Ethyl N-formyl-N-benzylglycinate
Basic information
- CAS
76075-07-5- Standard SMILES
CCOC(=O)CN(C=O)Cc1ccccc1- InChIKey
IEWAWTZSMBMRPL-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- Ethyl N-formyl-N-benzylglycinate
- IUPAC
- ethyl 2-[benzyl(formyl)amino]acetate
- English name
- ethyl N-formyl-N-benzylglycinate
- Molecular formula
- C12H15NO3
- Molecular weight
- 221.25
Names & synonyms
Ethyl N-formyl-N-benzylglycinate76075-07-5ethyl 2-[benzyl(formyl)amino]acetateETHYL 2-(N-BENZYLFORMAMIDO)ACETATENSC-10799ethyl n-benzyl-n-formylglycinateNSC10799EINECS 278-368-9Z2K2WX9HX3SCHEMBL2834701SCHEMBL2834704DTXSID20226967
Show more names
N-Formyl-N-(phenylmethyl)glycine ethyl esterGlycine, N-forMyl-N-(phenylMethyl)-, ethyl ester
IEWAWTZSMBMRPL-UHFFFAOYSA-NNSC 10799NS00037755
Database identifiers
- CAS
76075-07-5- PubChem CID
- 94962
- DTXSID
DTXSID20226967- UNII
- Z2K2WX9HX3
- EC Number
- 278-368-9
- Nikkaji
- J319.169I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 128 · 128-132 °C(Press: 0.05 Torr)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- pka
- -0.85 · -0.85±0.70(Predicted)
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Compound notes
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