methyldioctadecylamine

• ChemBase ID: 157778
• Molecular Formular: C37H77N
• Molecular Mass: 536.01398
• Monoisotopic Mass: 535.60560147
• SMILES: CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C
• InChI: InChI=1S/C37H77N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3
• InChIKey: VFLWKHBYVIUAMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyldioctadecylamine
• IUPAC Traditional name: methyldioctadecylamine
• Synonyms: N,N-Dioctadecylmethylamine; Proton ionophore III; Hydrogen ionophore III; N-Methyldioctadecylamine; N,N-双十八烷基甲胺; 质子离子载体 III; 氢离子载体 III; 双十八烷基甲基叔胺

Database IDs

• CAS Number: 4088-22-6
• EC Number: 223-819-7
• MDL Number: MFCD00075495
• Beilstein Number: 1802318
• PubChem SID: 24866517; 24890122; 162251915
• PubChem CID: 77709

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 11.807398
• LogD (pH = 7.4): 12.5083885
• Log P: 15.285891
• Molar Refractivity: 176.5633 cm^3
• Polarizability: 70.60036 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 34
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 46-49 °C; 48-49 °C
• Flash Point: 113 °C; 235.4 °F

Safety Information

• RTECS: RG0185966
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• 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%; ≥99.0% (NT); ≥99.0% (T)
• Grade: Selectophore™
• Linear Formula: [CH3(CH2)17]2NCH3

DETAILS

Sigma Aldrich - 42365

General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

Sigma Aldrich - 95298

General description
Visit our Sensor Applications portal to learn more.
Other Notes
Neutral ionophore for proton-sensitive solvent polymeric membrane electrodes used in biological studies1
Packaging
50 mg in glass bottle
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH