ethan(15N)amide

• ChemBase ID: 145563
• Molecular Formular: C2H5NO
• Molecular Mass: 60.0606089
• Monoisotopic Mass: 60.03414868
• SMILES: CC(=O)[15NH2]
• Canonical SMILES: CC(=O)[15NH2]
• InChI: InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)/i3+1
• InChIKey: DLFVBJFMPXGRIB-LBPDFUHNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethan(^1^5N)amide
• IUPAC Traditional name: ethan(^1^5N)amide
• Synonyms: Acetamide-15N; 乙酰胺-15N

Database IDs

• CAS Number: 1449-72-5
• MDL Number: MFCD00084187
• PubChem SID: 24872304; 162239768
• PubChem CID: 12228446

CALCULATED PROPERTIES

• Acid pKa: 16.745129
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0302885
• LogD (pH = 7.4): -1.0302883
• Log P: -1.0302883
• Molar Refractivity: 14.4659 cm^3
• Polarizability: 5.658248 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78-80 °C(lit.)
• Boiling Point: 221 °C(lit.)
• Mass Shift: M+1

Safety Information

• German water hazard class: 3

Product Information

• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 60.06 by atom % calculation
• Linear Formula: CH3CO15NH2

DETAILS

Sigma Aldrich - 487775

Packaging
1 g in glass bottle
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.