(13C)methan(15N)amide

• ChemBase ID: 139301
• Molecular Formular: CH3NO
• Molecular Mass: 47.02668374
• Monoisotopic Mass: 47.02185345
• SMILES: [13CH](=O)[15NH2]
• Canonical SMILES: [15NH2][13CH]=O
• InChI: InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i1+1,2+1
• InChIKey: ZHNUHDYFZUAESO-ZDOIIHCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C)methan(^1^5N)amide
• IUPAC Traditional name: (^1^3C)methan(^1^5N)amide
• Synonyms: Formamide-13C,15N; 甲酰胺-13C,15N

Database IDs

• CAS Number: 285977-74-4
• MDL Number: MFCD00144374
• PubChem SID: 162233549; 24881146
• PubChem CID: 16217367

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: 150 °C; 302 °F
• Density: 1.183 g/mL at 25 °C
• Mass Shift: M+2

Safety Information

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

Product Information

• Isotopic Purity: 98 atom % 15N; 99 atom % 13C
• Mol. Weight: mol wt 47.01 by atom % calculation
• Linear Formula: H13CO15NH2

DETAILS

Sigma Aldrich - 586951

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.