methyldioctylamine

• ChemBase ID: 74434
• Molecular Formular: C17H37N
• Molecular Mass: 255.48238
• Monoisotopic Mass: 255.29260019
• SMILES: CN(CCCCCCCC)CCCCCCCC
• Canonical SMILES: CCCCCCCCN(CCCCCCCC)C
• InChI: InChI=1S/C17H37N/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h4-17H2,1-3H3
• InChIKey: YJLYANLCNIKXMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyldioctylamine
• IUPAC Traditional name: methyldioctylamine
• Synonyms: N,N-Dioctylmethylamine; N-Methyldioctylamine; DI-N-OCTYLMETHYLAMINE; N-Methyldi-n-octylamine; 双辛烷基甲基叔胺; 二辛基甲胺

Database IDs

• CAS Number: 445-26-9; 4455-26-9
• EC Number: 224-703-9
• MDL Number: MFCD00009559
• Beilstein Number: 1750823
• PubChem SID: 24866563; 162039353
• PubChem CID: 78202

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9160247
• LogD (pH = 7.4): 3.6170154
• Log P: 6.394517
• Molar Refractivity: 84.5433 cm^3
• Polarizability: 33.659523 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -30.1 °C(lit.); -30.1°C
• Boiling Point: 162-165 °C/15 mmHg(lit.); 162-165°C/15mm
• Flash Point: 113 °C; 235.4 °F
• Density: 0.793 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4424(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H400
• GHS Precautionary statements: P261-P273-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥96.0% (GC)
• Linear Formula: [CH3(CH2)7]2NCH3

DETAILS

MP Biomedicals - 05203286

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 42430

Packaging
100 mL in glass bottle