(2H50)tetracosane

• ChemBase ID: 146827
• Molecular Formular: C24H50
• Molecular Mass: 338.6538
• Monoisotopic Mass: 338.3912516
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
• InChIKey: POOSGDOYLQNASK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅₀)tetracosane
• IUPAC Traditional name: (^2H₅₀)tetracosane
• Synonyms: Tetracosane-d50; 二十四烷-d50

Database IDs

• CAS Number: 16416-32-3
• MDL Number: MFCD00209792
• PubChem SID: 24868652; 162241019
• PubChem CID: 27870

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.133374
• LogD (pH = 7.4): 11.133374
• Log P: 11.133374
• Molar Refractivity: 112.2262 cm^3
• Polarizability: 45.07471 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 49-52 °C(lit.)
• Boiling Point: 391 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Mass Shift: M+50

Safety Information

• German water hazard class: 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 388.96 by atom % calculation
• Linear Formula: CD3(CD2)22CD3

DETAILS

Sigma Aldrich - 451770

Packaging
100, 500 mg in glass bottle
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.