(1-13C)formamide

• ChemBase ID: 138011
• Molecular Formular: CH3NO
• Molecular Mass: 46.03327484
• Monoisotopic Mass: 46.02481856
• SMILES: [13CH](=O)N
• Canonical SMILES: N[13CH]=O
• InChI: InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i1+1
• InChIKey: ZHNUHDYFZUAESO-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-^1^3C)formamide
• IUPAC Traditional name: (1-^1^3C)formamide
• Synonyms: Formamide-13C; 甲酰胺-13C

Database IDs

• CAS Number: 51284-91-4
• MDL Number: MFCD00083968
• PubChem SID: 162232270; 24872482
• PubChem CID: 16213436

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: 1.159 g/mL at 25 °C
• Refractive Index: n20/D 1.447(lit.)
• Mass Shift: M+1

Safety Information

• German water hazard class: 3
• GHS Pictograms: GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H318-H331-H340-H360
• GHS Precautionary statements: P201-P261-P280-P305 + P351 + P338-P311

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 46.03 by atom % calculation
• Linear Formula: H13CONH2

DETAILS

Sigma Aldrich - 489425

Packaging
1 g in ampule
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.