(2H62)triacontane

• ChemBase ID: 146606
• Molecular Formular: C30H62
• Molecular Mass: 422.81328
• Monoisotopic Mass: 422.48515198
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
• InChIKey: JXTPJDDICSTXJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₆₂)triacontane
• IUPAC Traditional name: (^2H₆₂)triacontane
• Synonyms: Triacontane-d62; 正三十烷-d62

Database IDs

• CAS Number: 93952-07-9
• MDL Number: MFCD00209794
• PubChem SID: 162240800; 24868653
• PubChem CID: 16212947

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 13.800786
• LogD (pH = 7.4): 13.800786
• Log P: 13.800786
• Molar Refractivity: 139.8322 cm^3
• Polarizability: 56.156876 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 27
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 62-67 °C(lit.)
• Boiling Point: 258-259 °C/3 mmHg(lit.)
• Mass Shift: M+62

Safety Information

• German water hazard class: 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 483.95 by atom % calculation
• Linear Formula: CD3(CD2)28CD3

DETAILS

Sigma Aldrich - 451789

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.