N-[2-(prop-2-enamido)ethyl]prop-2-enamide

• ChemBase ID: 146080
• Molecular Formular: C8H12N2O2
• Molecular Mass: 168.19308
• Monoisotopic Mass: 168.08987763
• SMILES: C=CC(=O)NCCNC(=O)C=C
• Canonical SMILES: C=CC(=O)NCCNC(=O)C=C
• InChI: InChI=1S/C8H12N2O2/c1-3-7(11)9-5-6-10-8(12)4-2/h3-4H,1-2,5-6H2,(H,9,11)(H,10,12)
• InChIKey: AYGYHGXUJBFUJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(prop-2-enamido)ethyl]prop-2-enamide
• IUPAC Traditional name: N-[2-(prop-2-enamido)ethyl]prop-2-enamide
• Synonyms: N,N′-Dimethylenebis(acrylamide); N,N′-Bisacryloyl-1,2-diaminoethane; N,N′-Ethylenebis(acrylamide); N,N'-Ethylenebisacrylamide; N,N′-双丙烯酰基-1,2-乙二胺; N,N′-二亚甲基双(丙烯酰胺); N,N′-乙烯基双丙烯酰胺; N,N'-乙烯基双丙烯酰胺

Database IDs

• CAS Number: 2956-58-3
• MDL Number: MFCD00042935
• Beilstein Number: 1771570
• PubChem SID: 24862033; 162240279
• PubChem CID: 168964

CALCULATED PROPERTIES

• Acid pKa: 15.591331
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.27216476
• LogD (pH = 7.4): -0.27216348
• Log P: -0.27216345
• Molar Refractivity: 46.0516 cm^3
• Polarizability: 17.41696 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138-140 °C(lit.); 141-143°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 否
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 96%
• Grade: technical grade
• Linear Formula: (H2C=CHCONHCH2-)2

DETAILS

Sigma Aldrich - 358878

Packaging
5 g in glass bottle