1-octadecyl-1H-pyrrole-2,5-dione

HCID 87118

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Basic information

CAS: 17450-30-5
Standard SMILES: CCCCCCCCCCCCCCCCCCN1C(=O)C=CC1=O
InChIKey: HOLZCMFSCBLOLX-UHFFFAOYSA-N
Molecular formula: C22H39NO2
Average molar mass: 349.5 g/mol
Monoisotopic mass: 349.29807949

Names & identifiers

Preferred name: 1-octadecyl-1H-pyrrole-2,5-dione
IUPAC: 1-octadecylpyrrole-2,5-dione
English name: 1-octadecyl-1H-pyrrole-2,5-dione
Molecular formula: C22H39NO2
Molecular weight: 349.55056

Names & synonyms

1-Octadecyl-1H-pyrrole-2,5-dione17450-30-5EINECS 241-467-2DTXSID50169838RefChem:76754DTXCID5092329241-467-2N-octadecylmaleimide1-octadecylpyrrole-2,5-dione1-Octadecyl-2,5-dihydro-1h-pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 1-octadecyl-MFCD05663344

Show more names

n-stearylmaleimideN-n-octadecylmaleimide1-Octadecyl-pyrrole-2,5-dione1-Octadecyl-3-pyrroline-2,5-dionen-odandecylmaleidide.SCHEMBL209436CS-0259854NS00025737

Database identifiers

CAS: 17450-30-5
PubChem CID: 87118
DTXSID: DTXSID50169838
EC Number: 241-467-2
Nikkaji: J287.055J

Properties

Computed structural properties

XLogP: 9.2
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 17
Heavy atoms: 25
Formal charge: 0
Complexity: 371

Physicochemical properties

Boiling point: 455.4 · 455.4±14.0 °C(Predicted)
Density: 0.95 · 0.950±0.06 g/cm3(Predicted)
pka: -2.2 · -2.20±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 99.8% (441 of 442) of all reports.

Not Classified

Aggregated GHS information provided per 442 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362