Basic information
- CAS
5442-90-0- Standard SMILES
O=C(CN1C(=O)c2ccccc2C1=O)N1CCOCC1- InChIKey
SFGYIUPSHSHZBW-UHFFFAOYSA-N- Molecular formula
- C14H14N2O4
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.09535693
Names & identifiers
- Preferred name
- Phthalimide, N-((morpholinocarbonyl)methyl)-
- IUPAC
- 2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione
- English name
- 4-27-00-00492 (Beilstein Handbook Reference)
- Molecular formula
- C14H14N2O4
- Molecular weight
- 274.27
Names & synonyms
5442-90-0Phthalimide, N-((morpholinocarbonyl)methyl)-NSC 13418N-(Morpholinocarbonylmethyl)phthalimideBRN 0280107DTXSID402028244-27-00-00492 (Beilstein Handbook Reference)RefChem:371574DTXCID701253152-[2-(morpholin-4-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dioneNSC13418Oprea1_005626
Show more names
2-(2-MORPHOLIN-4-YL-2-OXO-ETHYL)-ISOINDOLE-1,3-DIONE1H-Isoindole-1,3(2H)-dione, 2-[2-(4-morpholinyl)-2-oxoethyl]-
Oprea1_7385322-(2-morpholino-2-oxoethyl)isoindoline-1,3-dioneMLS000038566CHEMBL1562467HMS2288H17CCG-54434NSC-13418STK863274
Database identifiers
- CAS
5442-90-0- PubChem CID
- 95006
- DTXSID
DTXSID40202824- ChEMBL
CHEMBL1562467- EC Number
- 159-106-1
- Nikkaji
- J107.159I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Melting point
- 200 · 200-201 °C
- Boiling point
- 488.3 · 488.3±40.0 °C(Predicted)
- Density
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- pka
- -1.23 · -1.23±0.20(Predicted)
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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