N-(hydroxymethyl)prop-2-enamide

• ChemBase ID: 107416
• Molecular Formular: C4H7NO2
• Molecular Mass: 101.10388
• Monoisotopic Mass: 101.04767847
• SMILES: OCNC(=O)C=C
• Canonical SMILES: OCNC(=O)C=C
• InChI: InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)
• InChIKey: CNCOEDDPFOAUMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(hydroxymethyl)prop-2-enamide
• IUPAC Traditional name: N-(hydroxymethyl)acrylamide
• Synonyms: N-(HYDROXYMETHYL)ACRYLAMIDE; N-(Hydroxymethyl)acrylamide solution; N-(羟甲基)丙烯酰胺 溶液

Database IDs

• CAS Number: 924-42-5
• EC Number: 213-103-2
• MDL Number: MFCD00004597
• Beilstein Number: 506646
• PubChem SID: 162093211; 24854759
• PubChem CID: 13543

CALCULATED PROPERTIES

• Acid pKa: 12.897495
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6303205
• LogD (pH = 7.4): -0.63032156
• Log P: -0.6303203
• Molar Refractivity: 25.1121 cm^3
• Polarizability: 9.731663 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >199.4 °F; >93 °C
• Density: 1.074 g/mL at 25 °C
• Refractive Index: n20/D 1.413

Safety Information

• RTECS: AS3600000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 45-46-22-36/37/38-43-48/20/21/22-62; R:22
• Safety Statements: 53-26-36/37-45; S:36/37/39
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H317-H319-H335-H340-H350-H361f-H373
• GHS Precautionary statements: P201-P261-P280-P305 + P351 + P338-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95+%
• Concentration: 48 wt. % in H2O
• Contains: 30 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: CH2=CHCONHCH2OH

DETAILS

Sigma Aldrich - 245801

Packaging
1 kg in poly bottle
100 g in poly bottle