dioctadecylamine

• ChemBase ID: 107439
• Molecular Formular: C36H75N
• Molecular Mass: 521.9874
• Monoisotopic Mass: 521.58995141
• SMILES: CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C36H75N/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/h37H,3-36H2,1-2H3
• InChIKey: HKUFIYBZNQSHQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioctadecylamine
• IUPAC Traditional name: dioctadecylamine
• Synonyms: DIOCTADECYLAMINE PRACTICAL GRADE; DODA; Distearylamine; Dioctadecylamine; 二硬脂酸胺; 双十八烷基胺

Database IDs

• CAS Number: 112-99-2
• EC Number: 204-020-2
• MDL Number: MFCD00048494
• Beilstein Number: 1801688
• PubChem SID: 162094827; 24866510
• PubChem CID: 66989

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 11.665065
• LogD (pH = 7.4): 11.9111805
• Log P: 14.9028425
• Molar Refractivity: 171.2686 cm^3
• Polarizability: 68.75331 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 34
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 71-73 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (NT)
• Grade: PRACTICAL
• Linear Formula: [CH3(CH2)17]2NH

DETAILS

MP Biomedicals - 05203738

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 42358

Packaging
5 g in glass bottle