(13C,2H4)methane

• ChemBase ID: 137472
• Molecular Formular: CH4
• Molecular Mass: 17.03511484
• Monoisotopic Mass: 17.03465497
• SMILES: [13CH4]
• Canonical SMILES: [13CH4]
• InChI: InChI=1S/CH4/h1H4/i1+1
• InChIKey: VNWKTOKETHGBQD-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C,^2H₄)methane
• IUPAC Traditional name: (^1^3C,^2H₄)methane
• Synonyms: Methane-13C,d4; 甲烷-13C,d4

Database IDs

• CAS Number: 2644-20-4
• MDL Number: MFCD00144748
• PubChem SID: 24872795; 162231734
• PubChem CID: 12242916

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.080923
• LogD (pH = 7.4): 1.080923
• Log P: 1.080923
• Molar Refractivity: 6.3468 cm^3
• Polarizability: 2.601 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -183 °C(lit.)
• Boiling Point: -161 °C(lit.)
• Flash Point: -20 °C; -4 °F
• Vapor Density: 0.55 (vs air)
• Mass Shift: M+5

Safety Information

• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1971
• German water hazard class: nwg
• Hazard Class: 2.1
• Risk Statements: 12
• Safety Statements: 9-16-33
• GHS Pictograms: GHS02; GHS04
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280
• GHS Precautionary statements: P210-P410 + P403
• RID/ADR: UN 1971 2.1

Product Information

• Isotopic Purity: 99 atom % 13C; 99 atom % D
• Linear Formula: 13CD4

DETAILS

Sigma Aldrich - 493007

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.
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