N,N-bis(2H3)methylformamide

• ChemBase ID: 139520
• Molecular Formular: C3H7NO
• Molecular Mass: 73.09378
• Monoisotopic Mass: 73.05276385
• SMILES: CN(C=O)C
• Canonical SMILES: O=CN(C)C
• InChI: InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
• InChIKey: ZMXDDKWLCZADIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(^2H₃)methylformamide
• IUPAC Traditional name: N,N-bis(^2H₃)methylformamide
• Synonyms: N,N-Dimethyl-d6-formamide; N,N-二甲基-d6-甲酰胺

Database IDs

• CAS Number: 185990-36-7
• MDL Number: MFCD00190430
• PubChem SID: 162233768; 24881230
• PubChem CID: 16217400

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.6316352
• LogD (pH = 7.4): -0.6316349
• Log P: -0.6316349
• Molar Refractivity: 19.7688 cm^3
• Polarizability: 7.48225 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -61 °C(lit.)
• Boiling Point: 153 °C(lit.)
• Flash Point: 136.4 °F; 58 °C
• Density: 1.024 g/mL at 25 °C
• Mass Shift: M+6

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2265
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 61-20/21-36
• Safety Statements: 53-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H312-H319-H332-H360D
• GHS Precautionary statements: P201-P280-P305 + P351 + P338-P308 + P313
• RID/ADR: UN 2265 3/PG 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 79.01 by atom % calculation
• Linear Formula: HCON(CD3)2

DETAILS

Sigma Aldrich - 588725

Packaging
5 g in ampule
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.