octadecanamide

• ChemBase ID: 107637
• Molecular Formular: C18H37NO
• Molecular Mass: 283.49248
• Monoisotopic Mass: 283.28751481
• SMILES: CCCCCCCCCCCCCCCCCC(=O)N
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)N
• InChI: InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)
• InChIKey: LYRFLYHAGKPMFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadecanamide
• IUPAC Traditional name: stearamide
• Synonyms: Amide C18; Stearamide; Octadecanamide; Stearamide; OCTADECANAMIDE, STEARAMIDE; OCTADECANOAMIDE; C18 酰胺; 硬脂酰胺; 十八酰胺; 硬脂酰胺

Database IDs

• CAS Number: 124-26-5
• EC Number: 204-693-2
• MDL Number: MFCD00008038
• Beilstein Number: 909006
• PubChem SID: 24898031; 162094894
• PubChem CID: 31292

CALCULATED PROPERTIES

• Acid pKa: 16.88392
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.338777
• LogD (pH = 7.4): 6.3387775
• Log P: 6.3387775
• Molar Refractivity: 88.1078 cm^3
• Polarizability: 35.11876 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 98-102 °C(lit.)
• Boiling Point: 250-251 °C/12 mmHg(lit.)

Safety Information

• RTECS: RG0182000
• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ~90% (GC); 85%
• Grade: technical; technical grade
• Linear Formula: CH3(CH2)16CONH2

DETAILS

MP Biomedicals - 05204422

MP Biomedicals Rare Chemical collection

Sigma Aldrich - O601

Packaging
1 kg in poly bottle
100 g in poly bottle