(2H74)hexatriacontane

• ChemBase ID: 149757
• Molecular Formular: C36H74
• Molecular Mass: 506.97276
• Monoisotopic Mass: 506.57905237
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
• InChIKey: YDLYQMBWCWFRAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₇₄)hexatriacontane
• IUPAC Traditional name: (^2H₇₄)hexatriacontane
• Synonyms: Hexatriacontane-d74; 三十六烷-d74

Database IDs

• CAS Number: 16416-34-5
• MDL Number: MFCD00274270
• PubChem SID: 24868698; 162243919
• PubChem CID: 16212953

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 16.468199
• LogD (pH = 7.4): 16.468199
• Log P: 16.468199
• Molar Refractivity: 167.4382 cm^3
• Polarizability: 67.23907 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 33
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 73-75 °C(lit.)
• Boiling Point: 265 °C(lit.)
• Mass Shift: M+74

Safety Information

• German water hazard class: 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 579.95 by atom % calculation
• Linear Formula: CD3(CD2)34CD3

DETAILS

Sigma Aldrich - 452424

Packaging
1 g in glass bottle
250 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.