(2H)formamide

• ChemBase ID: 138270
• Molecular Formular: CH3NO
• Molecular Mass: 45.04062
• Monoisotopic Mass: 45.02146372
• SMILES: C(=O)N
• Canonical SMILES: NC=O
• InChI: InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
• InChIKey: ZHNUHDYFZUAESO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H)formamide
• IUPAC Traditional name: (^2H)formamide
• Synonyms: Formamide-1-d; 甲酰胺-1-d

Database IDs

• CAS Number: 35692-88-7
• MDL Number: MFCD01074135
• PubChem SID: 162232527
• PubChem CID: 13001165

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: 99 atom % D
• Mol. Weight: mol wt 46.04 by atom % calculation
• Linear Formula: DCONH2

DETAILS

Sigma Aldrich - 492655

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.