1-cyclohexyl-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 91525
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: N1(C2CCCCC2)C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1C1CCCCC1
• InChI: InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2
• InChIKey: BQTPKSBXMONSJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-cyclohexylpyrrole-2,5-dione
• Synonyms: N-Cyclohexylmaleimide; N-Cyclohexylmaleimide; N-环己基马来酰亚胺

Database IDs

• CAS Number: 1631-25-0
• EC Number: 216-630-6
• MDL Number: MFCD00043904
• PubChem SID: 24863825; 162078224
• PubChem CID: 74203

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3870437
• LogD (pH = 7.4): 1.3870437
• Log P: 1.3870437
• Molar Refractivity: 49.2623 cm^3
• Polarizability: 18.744337 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88°C; 89-91 °C(lit.); 89-91°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H13NO2

DETAILS

MP Biomedicals - 02101461

Crystalline

MP Biomedicals - 05220474

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 381543

Packaging
5 g in glass bottle