N-methyl(1-13C)formamide

• ChemBase ID: 135225
• Molecular Formular: C2H5NO
• Molecular Mass: 60.05985484
• Monoisotopic Mass: 60.04046862
• SMILES: CN[13CH]=O
• Canonical SMILES: CN[13CH]=O
• InChI: InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)/i2+1
• InChIKey: ATHHXGZTWNVVOU-VQEHIDDOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl(1-^1^3C)formamide
• IUPAC Traditional name: N-methyl(1-^1^3C)formamide
• Synonyms: N-Methylformamide-1-13C; N-甲基甲酰胺-1-13C

Database IDs

• MDL Number: MFCD04118147
• PubChem SID: 162229500
• PubChem CID: 71309159

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(lit.)
• Boiling Point: 198-199 °C
• Density: 1.028 g/mL at 25 °C
• Mass Shift: M+1

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 60.05 by atom % calculation
• Linear Formula: H13CONH(CH3)

DETAILS

Sigma Aldrich - 603988

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.