methyl(octadecyl)amine

• ChemBase ID: 110726
• Molecular Formular: C19H41N
• Molecular Mass: 283.53554
• Monoisotopic Mass: 283.32390032
• SMILES: CCCCCCCCCCCCCCCCCCNC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCNC
• InChI: InChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h20H,3-19H2,1-2H3
• InChIKey: SZEGKVHRCLBFKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(octadecyl)amine
• IUPAC Traditional name: 1-octadecanamine, N-methyl-
• Synonyms: N-Methylstearylamine; N-Methyloctadecylamine; Stearyl Methylamine; N-METHYL-N-OCTADECYLAMINE; N-甲基正十八胺; N-甲基-1-十八胺

Database IDs

• CAS Number: 2439-55-6
• EC Number: 219-463-7
• MDL Number: MFCD00009008
• Beilstein Number: 1758431
• PubChem SID: 24897012; 162088966
• PubChem CID: 75539

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.1197457
• LogD (pH = 7.4): 4.4651213
• Log P: 7.354982
• Molar Refractivity: 92.981 cm^3
• Polarizability: 37.353607 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 42-46 °C(lit.); 43-45 °C
• Flash Point: 113 °C; 235.4 °F

Safety Information

• RTECS: RG4460000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• 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: ≥98.0% (GC); 98%
• Grade: purum
• Linear Formula: CH3(CH2)17NHCH3

DETAILS

MP Biomedicals - 05216092

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M65009

Packaging
5 g in glass bottle