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

• ChemBase ID: 135221
• Molecular Formular: C3H7NO
• Molecular Mass: 74.08643484
• Monoisotopic Mass: 74.05611869
• SMILES: CN(C)[13CH]=O
• Canonical SMILES: O=[13CH]N(C)C
• InChI: InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i3+1
• InChIKey: ZMXDDKWLCZADIW-LBPDFUHNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl(1-^1^3C)formamide
• IUPAC Traditional name: N,N-dimethyl(1-^1^3C)formamide
• Synonyms: N,N-Dimethyl(form-13C,d)amide; N,N-Dimethylform-13C-amide; N,N-Dimethylformamide-(carbonyl-13C); N,N-二甲基(甲酰-13C,d)胺; N,N-二甲基甲酰-13C-胺; N,N-二甲基甲酰胺-羰基-13C

Database IDs

• CAS Number: 32488-43-0
• MDL Number: MFCD00003285; MFCD04118212
• PubChem SID: 162229496; 24857548
• PubChem CID: 12201243

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: 0.957 g/mL at 25 °C; 0.969 g/mL at 25 °C
• Refractive Index: n20/D 1.429(lit.)
• Mass Shift: M+1; M+2

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; 99 atom % 13C
• Mol. Weight: mol wt 74.09 by atom % calculation; mol wt 75.06 by atom % calculation
• Linear Formula: D13CON(CH3)2; H13CON(CH3)2

DETAILS

Sigma Aldrich - 291943

Packaging
1 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.

Sigma Aldrich - 607479

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.