1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione

HCID 2392392

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Basic information

CAS: 140481-07-8
Standard SMILES: COc1ccc(CCN2C(=O)C=CC2=O)cc1
InChIKey: AXKRZHUMKQPDBD-UHFFFAOYSA-N
Molecular formula: C13H13NO3
Average molar mass: 231.25 g/mol

Names & identifiers

Preferred name: 1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
IUPAC: 1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
English name: 1-[2-(4-methoxyphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
Molecular formula: C13H13NO3
Molecular weight: 231.25

Names & synonyms

1-[2-(4-methoxyphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione140481-07-81-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dioneRefChem:421138982-968-21-[2-(4-Methoxy-phenyl)-ethyl]-pyrrole-2,5-dione1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dioneN-(p-Methoxyphenethyl)maleimideEnamine_005103BDBM7808CHEMBL376810SCHEMBL3381344

Show more names

1H-Pyrrole-2,5-dione, 1-[2-(4-methoxyphenyl)ethyl]-

AXKRZHUMKQPDBD-UHFFFAOYSA-NHMS1408H21N-(p-methoxy-phenethyl)-maleimideQFA48107EBC-06621AKOS000116741IDI1_007690CS-0219388

Database identifiers

CAS: 140481-07-8
PubChem CID: 2392392
ChEMBL: CHEMBL376810
EC Number: 982-968-2
Nikkaji: J466.424H

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 312

Physicochemical properties

Melting point: 79 · 79-81 °C
Boiling point: 394.2 · 394.2±25.0 °C(Predicted)
Density: 1.227 · 1.227±0.06 g/cm3(Predicted)
pka: -2.25 · -2.25±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.