(N-Benzoyl)glycylglycine methyl ester
Basic information
- CAS
51514-00-2- Standard SMILES
COC(=O)CNC(=O)CNC(=O)c1ccccc1- InChIKey
KGAHZTBJDOHMHW-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.09535693
Names & identifiers
- Preferred name
- (N-Benzoyl)glycylglycine methyl ester
- IUPAC
- methyl 2-[(2-benzamidoacetyl)amino]acetate
- English name
- (N-Benzoyl)glycylglycine methyl ester
- Molecular formula
- C12H14N2O4
- Molecular weight
- 250.25
Names & synonyms
(N-BENZOYL)GLYCYLGLYCINE METHYL ESTERRefChem:406676668-044-951514-00-2methyl 2-[(2-benzamidoacetyl)amino]acetatemethyl N-benzoylglycylglycinateMethyl 2-(2-benzamidoacetamido)acetateNSC164027SCHEMBL27419582DTXSID40304039AKOS008933868NSC-164027
Show more names
Benzoylglycylglycine methyl esterGlycine, N-benzoylglycyl-, methyl ester (9CI)
Database identifiers
- CAS
51514-00-2- PubChem CID
- 294885
- DTXSID
DTXSID40304039- EC Number
- 668-044-9
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 78 · 78-82 °C
- Boiling point
- 519.8 · 519.8±30.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- pka
- 13.17 · 13.17±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…