N,N-Dibenzyl glycine methyl ester
Basic information
- CAS
94226-55-8- Standard SMILES
COC(=O)CN(Cc1ccccc1)Cc1ccccc1- InChIKey
LHIQQTZOSWEAKY-UHFFFAOYSA-N- Molecular formula
- C17H19NO2
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.14157885
Names & identifiers
- Preferred name
- N,N-Dibenzyl glycine methyl ester
- IUPAC
- methyl 2-(dibenzylamino)acetate
- English name
- N,N-Dibenzyl glycine methyl ester
- Molecular formula
- C17H19NO2
- Molecular weight
- 269.34
Names & synonyms
94226-55-8N,N-Dibenzyl glycine methyl esterDTXSID70407300RefChem:358828DTXCID80358152Methyl 2-(dibenzylamino)acetateN,N-DIBENZYLGLYCINEMETHYLESTERN,N-Dibenzylglycine methyl esterMethyl dibenzylglycinateGlycine, N,N-bis(phenylmethyl)-, methyl esterMethyl N,N-dibenzylglycinatemethyl (dibenzylamino)acetate
Show more names
(dibenzylamino)acetic acid methyl ester
SCHEMBL7611509MFCD02668205AKOS003974071AC-12838SY337619E87753
Database identifiers
- CAS
94226-55-8- PubChem CID
- 4990071
- DTXSID
DTXSID70407300- Nikkaji
- J1.351.536K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 361 · 361.0±30.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- pka
- 5.31 · 5.31±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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