N-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl)glycine
Basic information
- CAS
3916-40-3- Standard SMILES
O=C(O)CNC(=O)CN1C(=O)c2ccccc2C1=O- InChIKey
GGZCEFKSVHSZHT-UHFFFAOYSA-N- Molecular formula
- C12H10N2O5
- Average molar mass
- 262.22 g/mol
- Monoisotopic mass
- 262.05897142
Names & identifiers
- Preferred name
- N-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl)glycine
- IUPAC
- 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetic acid
- English name
- Phthaloylgly Cylglycine
- Molecular formula
- C12H10N2O5
- Molecular weight
- 262.22
Names & synonyms
3916-40-32-(2-(1,3-dioxoisoindolin-2-yl)acetamido)acetic acidN-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl)glycineN-Phthaloylglycylglycine2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetic acidPHTHALOYLGLY CYLGLYCINE(2-(1,3-dioxoisoindolin-2-yl)acetyl)glycineNSC-29726N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]glycine2-[2-(1,3-Dioxoisoindolin-2-yl)acetamido]acetic acidN-(Phthalimidoacetyl)glycineNSC29726
Show more names
2-(2-Phthalimidoacetylamino)acetic acidN-[[(Carboxymethyl)carbamoyl]methyl]phthalimide2-[2-(1,3-dioxoisoindol-2-yl)ethanoylamino]ethanoic acidN-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]glycine2-[[2-(1,3-diketoisoindolin-2-yl)acetyl]amino]acetic acidGlycine, N-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetylamino]acetic acid
EINECS 223-481-0Glycine, N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]acetic acidCBKinase1_001888CBKinase1_014288RQ5G598KBJOprea1_395041Oprea1_458539
Database identifiers
- CAS
3916-40-3- PubChem CID
- 77519
- DTXSID
DTXSID60192399- UNII
- RQ5G598KBJ
- EC Number
- 223-481-0
- Nikkaji
- J195.974C
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Melting point
- 232 °C · 232 °C
- Boiling point
- 583.9 · 583.9±35.0 °C(Predicted)
- Density
- 1.509 · 1.509±0.06 g/cm3(Predicted)
- pka
- 3.32 · 3.32±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesN-Phthaloylglycylglycine is an intermediate used in the synthesis of Rilmazafone Hydrochloride (R509715), which can be used in biological study of nitrazepam or rilmazafone hydrochloride combined with ethanol effects on human memory. It is also used as sleep aid medication.
Upstream & downstream products
Upstream raw materials
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