N-methylmethan(18O)amide

• ChemBase ID: 135310
• Molecular Formular: C2H5NO
• Molecular Mass: 61.066961
• Monoisotopic Mass: 61.04136017
• SMILES: CNC=[18O]
• Canonical SMILES: CNC=[18O]
• InChI: InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)/i4+2
• InChIKey: ATHHXGZTWNVVOU-DOMIDYPGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylmethan(^1^8O)amide
• IUPAC Traditional name: N-methylmethan(^1^8O)amide
• Synonyms: N-Methylformamide-18O; N-甲基甲酰胺-18O

Database IDs

• CAS Number: 300575-29-5
• MDL Number: MFCD04118244
• PubChem SID: 162229584
• PubChem CID: 71309213

CALCULATED PROPERTIES

• Acid pKa: 16.54298
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.85531116
• LogD (pH = 7.4): -0.855311
• Log P: -0.855311
• Molar Refractivity: 14.8721 cm^3
• Polarizability: 5.658248 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -4 °C
• Boiling Point: 198-199 °C
• Flash Point: 111 °C; 231.8 °F
• Density: 1.044 g/mL at 25 °C
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 1
• Risk Statements: 61-21
• Safety Statements: 53-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H312-H360D
• GHS Precautionary statements: P201-P280-P308 + P313

Product Information

• Isotopic Purity: 95 atom % 18O
• Mol. Weight: mol wt 60.972 by atom % calculation
• Linear Formula: HC18ONH(CH3)

DETAILS

Sigma Aldrich - 609900

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.