methan(18O)amide

• ChemBase ID: 138363
• Molecular Formular: CH3NO
• Molecular Mass: 47.040381
• Monoisotopic Mass: 47.0257101
• SMILES: C(=[18O])N
• Canonical SMILES: NC=[18O]
• InChI: InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i3+2
• InChIKey: ZHNUHDYFZUAESO-YZRHJBSPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methan(^1^8O)amide
• IUPAC Traditional name: methan(^1^8O)amide
• Synonyms: Formamide-18O; 甲酰胺-18O

Database IDs

• CAS Number: 51284-92-5
• MDL Number: MFCD01075643
• PubChem SID: 162232619; 24872767
• PubChem CID: 16213573

CALCULATED PROPERTIES

• Acid pKa: 16.66931
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0789871
• LogD (pH = 7.4): -1.078987
• Log P: -1.078987
• Molar Refractivity: 9.9754 cm^3
• Polarizability: 3.849606 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 2-3 °C(lit.)
• Boiling Point: 210 °C(lit.)
• Flash Point: 154 °C; 309.2 °F
• Density: 1.182 g/mL at 25 °C
• Refractive Index: n20/D 1.447(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 61-37/38-41
• Safety Statements: 53-23-26-36/37/39-45
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335-H360
• GHS Precautionary statements: P201-P261-P280-P305 + P351 + P338-P308 + P313
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Isotopic Purity: 95 atom % 18O
• Mol. Weight: mol wt 46.94 by atom % calculation
• Linear Formula: HC18ONH2

DETAILS

Sigma Aldrich - 492647

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.