1H-Pyrrole-2,5-dione, 1-dodecyl-

HCID 87191CAS 17616-03-4

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCCCCCCCN1C(=O)C=CC1=O
InChIKey: SJLLJZNSZJHXQN-UHFFFAOYSA-N
Molecular formula: C16H27NO2
Average molar mass: 265.39 g/mol
Monoisotopic mass: 265.2041791

Names & identifiers

Preferred name: 1H-Pyrrole-2,5-dione, 1-dodecyl-
IUPAC: 1-dodecylpyrrole-2,5-dione
English name: 1-DODECYL-PYRROLE-2,5-DIONE
Molecular formula: C16H27NO2
Molecular weight: 265.39

Names & synonyms

17616-03-4N-Laurylmaleimide1H-Pyrrole-2,5-dione, 1-dodecyl-AI3-02973DTXSID7066223RefChem:439198DTXCID10356021-dodecylpyrrole-2,5-dione1-Dodecyl-1H-pyrrole-2,5-dioneN-dodecylmaleimide1-DODECYL-PYRROLE-2,5-DIONEN-dodecyl maleimide

Show more names

N-Dodecylmaleinimide1-dodecyl-1h-pyrrole-5-dione5-dione,1-dodecyl-1H-Pyrrole-21-Dodecyl-3-pyrroline-2,5-dione

MFCD000805011-dodecyl-2,5-dihydro-1H-pyrrole-2,5-dionen-dodecyl-maleinimidN-n-dodecylmaleimiden-dodecyl maleinimideSCHEMBL36400SCHEMBL6723806BS-51163

Database identifiers

CAS: 17616-03-4
PubChem CID: 87191
DTXSID: DTXSID7066223
Nikkaji: J171.256J

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 11
Heavy atoms: 19
Formal charge: 0
Complexity: 292

Physicochemical properties

Melting point: 56 · 56-57 °C
Boiling point: 180 °C · 180 °C(Press: 5 Torr)
Density: 0.987 · 0.987±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: -2.2 · -2.20±0.20(Predicted)
Appearance: White to off-white Solid
EPA Substance Registry System: 1 H-Pyrrole-2,5-dione, · 1H-Pyrrole-2,5-dione, 1-dodecyl- (17616-03-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-27-36/37/39
TSCA: TSCA listed