N,N-dimethyl(1-13C)acetamide

• ChemBase ID: 136476
• Molecular Formular: C4H9NO
• Molecular Mass: 88.11301484
• Monoisotopic Mass: 88.07176875
• SMILES: C[13C](=O)N(C)C
• Canonical SMILES: C[13C](=O)N(C)C
• InChI: InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3/i4+1
• InChIKey: FXHOOIRPVKKKFG-AZXPZELESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl(1-^1^3C)acetamide
• IUPAC Traditional name: N,N-dimethyl(1-^1^3C)acetamide
• Synonyms: N,N-Dimethylacetamide-1-13C

Database IDs

• MDL Number: MFCD19687022
• PubChem SID: 162230746
• PubChem CID: 71309844

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.58293635
• LogD (pH = 7.4): -0.5829362
• Log P: -0.58293617
• Molar Refractivity: 24.2593 cm^3
• Polarizability: 9.313932 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -20 °C(lit.)
• Boiling Point: 164.5-166 °C(lit.)
• Flash Point: 158 °F; 70 °C
• Density: 0.947 g/mL at 25 °C
• Mass Shift: M+1

Safety Information

• German water hazard class: 3
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H312-H319-H331-H360
• GHS Precautionary statements: P201-P261-P280-P305 + P351 + P338-P311

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 88.10 by atom % calculation
• Linear Formula: CH313CON(CH3)2

DETAILS

Sigma Aldrich - 695645

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.