heptatriacontane

• ChemBase ID: 152515
• Molecular Formular: C37H76
• Molecular Mass: 520.99934
• Monoisotopic Mass: 520.59470243
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C37H76/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
• InChIKey: PXEZIKSRSYGOED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptatriacontane
• IUPAC Traditional name: N-heptatriacontane
• Synonyms: Heptatriacontane; 三十七烷

Database IDs

• CAS Number: 7194-84-5
• EC Number: 230-559-8
• MDL Number: MFCD00042945
• Beilstein Number: 1713110
• PubChem SID: 162246660; 24874024; 24874026
• PubChem CID: 23598

CALCULATED PROPERTIES

• Polarizability: 69.0861 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 34
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 16.912767
• LogD (pH = 7.4): 16.912767
• Log P: 16.912767
• Molar Refractivity: 172.0392 cm^3

PROPERTIES

Physical Property

• Melting Point: 76-78 °C; 77-79 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥95.0%; ≥98.0% (GC)
• Grade: analytical standard
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)35CH3

DETAILS

Sigma Aldrich - 51850

Packaging
1 g in glass bottle