N-methylethan(15N)amide

• ChemBase ID: 135285
• Molecular Formular: C3H7NO
• Molecular Mass: 74.0871889
• Monoisotopic Mass: 74.04979874
• SMILES: CC(=O)[15NH]C
• Canonical SMILES: C[15NH]C(=O)C
• InChI: InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)/i4+1
• InChIKey: OHLUUHNLEMFGTQ-AZXPZELESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylethan(^1^5N)amide
• IUPAC Traditional name: N-methylethan(^1^5N)amide
• Synonyms: N-Methylacetamide-15N; N-甲基乙酰胺-15N

Database IDs

• CAS Number: 31685-41-3
• MDL Number: MFCD04118233
• PubChem SID: 162229560
• PubChem CID: 71309199

CALCULATED PROPERTIES

• Acid pKa: 16.466064
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8066124
• LogD (pH = 7.4): -0.80661225
• Log P: -0.80661225
• Molar Refractivity: 19.3626 cm^3
• Polarizability: 7.48225 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 26-28 °C(lit.)
• Boiling Point: 204-206 °C(lit.)
• Flash Point: 115 °C; 239 °F
• Density: 0.970 g/mL at 25 °C(lit.)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 2
• 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
• Mol. Weight: mol wt 74.07 by atom % calculation
• Linear Formula: CH3CO15NH(CH3)

DETAILS

Sigma Aldrich - 608904

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.