dodecyldimethylamine

• ChemBase ID: 109013
• Molecular Formular: C14H31N
• Molecular Mass: 213.40264
• Monoisotopic Mass: 213.24565
• SMILES: CCCCCCCCCCCCN(C)C
• Canonical SMILES: CCCCCCCCCCCCN(C)C
• InChI: InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3
• InChIKey: YWFWDNVOPHGWMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyldimethylamine
• IUPAC Traditional name: N,N-dimethyldodecylamine
• Synonyms: N,N-DIMETHYLDODECYLAMINE; N,N-dimethyldodecan-1-amine; DDA; 1-(Dimethylamino)dodecane; N,N-Dimethyldodecylamine; 十二烷基二甲基叔胺; N,N-二甲基十二烷基胺; N,N-二甲基十二胺

Database IDs

• CAS Number: 112-18-5
• EC Number: 203-943-8
• MDL Number: MFCD00008970
• Beilstein Number: 1700191
• PubChem SID: 24857151; 162095040
• PubChem CID: 8168

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6346284
• LogD (pH = 7.4): 2.7109401
• Log P: 5.0706177
• Molar Refractivity: 70.6697 cm^3
• Polarizability: 28.1184 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -20 °C(lit.); -20°C; -20°C
• Boiling Point: 110-112°C/3mm; 271°C; 80-82 °C/0.1 mmHg(lit.)
• Flash Point: 113 °C; 118°C(244°F); 235.4 °F
• Density: 0.787; 0.787 g/mL at 20 °C(lit.)
• Refractive Index: 1.4375; n20/D 1.437; n20/D 1.4375(lit.)
• Vapor Pressure: <129 mmHg ( 21 °C)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• RTECS: JR6600000
• European Hazard Symbols: Corrosive (C); Nature polluting (N); X
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 22-34-50; 22-34-50/53; R:34
• Safety Statements: 20-23-26-36/37/39-45-57; 26-36/37/39-45-60-61; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318-H400; H302-H314-H410
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P273-P280-P305 + P351 + P338-P310-P501
• 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 2

Product Information

• Purity: ≥90% (GC); ≥97.0% (GC); ≥99.5% (sum of isomers, GC); ≥99.5% 1-dimethylaminododecane basis (GC); 90+%; 97%
• Grade: puriss.; purum; technical
• Impurities: ≤0.5% water; ≤1% water
• Linear Formula: CH3(CH2)11N(CH3)2

DETAILS

MP Biomedicals - 05209532

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 284386

Packaging
1 L in glass bottle
5, 250 mL in glass bottle

Sigma Aldrich - 39150

Caution
may contain some precipitate