hexadecyldimethylamine

• ChemBase ID: 109025
• Molecular Formular: C18H39N
• Molecular Mass: 269.50896
• Monoisotopic Mass: 269.30825025
• SMILES: CCCCCCCCCCCCCCCCN(C)C
• Canonical SMILES: CCCCCCCCCCCCCCCCN(C)C
• InChI: InChI=1S/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h4-18H2,1-3H3
• InChIKey: NHLUVTZJQOJKCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecyldimethylamine
• IUPAC Traditional name: dimethyl palmitamine
• Synonyms: CETYLDIMETHYLAMINE; 1-(Dimethylamino)hexadecane; N,N-Dimethylpalmitylamine; N,N-Dimethylhexadecylamine; N,N-Dimethylhexadecan-1-amine; 1-(二甲氨基)十六烷; N,N-二甲基十六胺; 十六烷基二甲基叔胺

Database IDs

• CAS Number: 112-69-2; 112-69-6
• EC Number: 203-997-2
• MDL Number: MFCD00015086
• Beilstein Number: 1755921
• PubChem SID: 24865258; 162096130
• PubChem CID: 16221

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.412903
• LogD (pH = 7.4): 4.489215
• Log P: 6.8488927
• Molar Refractivity: 89.0737 cm^3
• Polarizability: 35.506565 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: > 300°C
• Flash Point: 142 °C; 287.6 °F
• Density: 0.80 g/ml; 0.801 g/mL at 20 °C(lit.)

Safety Information

• RTECS: MM0750000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3

Product Information

• Purity: ≥95% (GC); ≥98.0% (NT); 95+%
• Grade: technical
• Impurities: ≤0.2% water
• Linear Formula: CH3(CH2)15N(CH3)2

DETAILS

MP Biomedicals - 05209573

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 40460

Packaging
100 mL in glass bottle