N-(2H3)methyl(2H)methan(2H)amide

• ChemBase ID: 135397
• Molecular Formular: C2H5NO
• Molecular Mass: 59.0672
• Monoisotopic Mass: 59.03711379
• SMILES: C(=O)NC
• Canonical SMILES: CNC=O
• InChI: InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)
• InChIKey: ATHHXGZTWNVVOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(^2H₃)methyl(^2H)methan(^2H)amide
• IUPAC Traditional name: N-(^2H₃)methyl(^2H)methan(^2H)amide
• Synonyms: N-Methylformamide-d5

Database IDs

• MDL Number: MFCD01317512
• PubChem SID: 162229671
• PubChem CID: 71309265

CALCULATED PROPERTIES

• Acid pKa: 16.54298
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.85531116
• LogD (pH = 7.4): -0.855311
• Log P: -0.855311
• Molar Refractivity: 14.8721 cm^3
• Polarizability: 5.658248 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+5

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 1
• Risk Statements: 61-21
• Safety Statements: 53-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H312-H360
• GHS Precautionary statements: P201-P280-P308 + P313

Product Information

• Isotopic Purity: 98 atom % D
• Linear Formula: DCONDCD3

DETAILS

Sigma Aldrich - 683450

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.