N-(2-octadecanamidoethyl)octadecanamide

• ChemBase ID: 127338
• Molecular Formular: C38H76N2O2
• Molecular Mass: 593.02224
• Monoisotopic Mass: 592.59067968
• SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,41)(H,40,42)
• InChIKey: RKISUIUJZGSLEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-octadecanamidoethyl)octadecanamide
• IUPAC Traditional name: ethylene bis stearamide
• Synonyms: 1,2-Bis(stearoylamino) ethane; N,N’-1,2-Ethanediylbisoctadecanamide; N,N’-Ethylenedi(stearamide); Ethylene distearylamide; Ethylene bis(stearamide); N,N′-Ethylenebis(stearamide); N,N′-乙撑双硬脂酰胺

Database IDs

• CAS Number: 110-30-5
• EC Number: 203-755-6
• MDL Number: MFCD00059224
• PubChem SID: 24867205; 162221659
• PubChem CID: 8044
• Chemspider ID: 7753
• MeSH Name: N,N'-ethylene+distearylamide
• Wikipedia Title: Ethylene_bis(stearamide)

CALCULATED PROPERTIES

• Acid pKa: 15.7675085
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 12.953381
• LogD (pH = 7.4): 12.9533825
• Log P: 12.9533825
• Molar Refractivity: 184.04 cm^3
• Polarizability: 73.19146 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 35
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: ketones, alcohols and aromatic solvents at their boiling points: soluble; water and most organic solvents at room temperature: insoluble
• Apperance: beads; White, waxy crystals
• Melting Point: 144 - 146°C; 144-146 °C(lit.)
• Flash Point: 280 °C
• Odor: Odourless

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38; R36/37/38
• Safety Statements: 26-36; S26, S36
• GHS Pictograms: GHS exclamation mark; GHS07
• GHS Signal Word: WARNING; Warning
• GHS Hazard statements: 315, 319, 335; H315-H319-H335
• GHS Precautionary statements: 261, 305+351+338; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Particle Size: <840 μm
• Acid Value: <12 mg KOH/g
• Linear Formula: [CH3(CH2)16CONHCH2-]2

DETAILS

Sigma Aldrich - 434671

Packaging
1 kg in poly bottle
3 kg in poly drum
Application
Processing lubricants, release agents, antistats, pigment dispersing aids, oil-based antifoaming agent and additive to coatings.