methan(15N)amide

• ChemBase ID: 138111
• Molecular Formular: CH3NO
• Molecular Mass: 46.0340289
• Monoisotopic Mass: 46.01849861
• SMILES: C(=O)[15NH2]
• Canonical SMILES: [15NH2]C=O
• InChI: InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i2+1
• InChIKey: ZHNUHDYFZUAESO-VQEHIDDOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1449-77-0
• MDL Number: MFCD00084213
• PubChem SID: 24872483; 162232369
• PubChem CID: 11029754

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: 98 atom % 15N
• Mol. Weight: mol wt 46.03 by atom % calculation
• Linear Formula: HCO15NH2

DETAILS

Sigma Aldrich - 489433

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.