dimethyl(octadecyl)amine

• ChemBase ID: 109570
• Molecular Formular: C20H43N
• Molecular Mass: 297.56212
• Monoisotopic Mass: 297.33955038
• SMILES: CCCCCCCCCCCCCCCCCCN(C)C
• Canonical SMILES: CCCCCCCCCCCCCCCCCCN(C)C
• InChI: InChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h4-20H2,1-3H3
• InChIKey: NAPSCFZYZVSQHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(octadecyl)amine
• IUPAC Traditional name: dymanthine
• Synonyms: DIMETHYL OCTADECYLAMINE; N,N-Dimethyloctadecan-1-amine

Database IDs

• CAS Number: 124-28-7
• EC Number: 204-694-8
• MDL Number: MFCD00048496
• PubChem SID: 162096264
• PubChem CID: 15365

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3020406
• LogD (pH = 7.4): 5.378352
• Log P: 7.73803
• Molar Refractivity: 98.2757 cm^3
• Polarizability: 39.200645 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: RG4200000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36
• Safety Statements: S:26

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05211628

MP Biomedicals Rare Chemical collection