dodecyltrimethylazanium chloride

• ChemBase ID: 107653
• Molecular Formular: C15H34ClN
• Molecular Mass: 263.89016
• Monoisotopic Mass: 263.23797777
• SMILES: [Cl-].CCCCCCCCCCCC[N+](C)(C)C
• Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
• InChIKey: DDXLVDQZPFLQMZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyltrimethylazanium chloride
• IUPAC Traditional name: dodecyltrimethylammonium chloride
• Synonyms: Dodecyltrimethylammonium chloride solution; Lauryltrimethylammonium chloride; (1-Dodecyl)trimethylammonium chloride; N,N,N-Trimethyldodecan-1-aminium chloride; DODECYLTRIMETHYL AMMONIUM CHLORIDE, 50% SOLUTION; Dodecyltrimethylammonium chloride; 十二烷基三甲基氯化铵 溶液; (1-十二烷基)三甲基氯化铵; 十二烷基三甲基氯化铵

Database IDs

• CAS Number: 112-00-5
• EC Number: 203-927-0
• MDL Number: MFCD00041974
• Beilstein Number: 3915951
• PubChem SID: 162093261; 24850344; 24867836; 24867843
• PubChem CID: 8152

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.9082812
• LogD (pH = 7.4): 0.9082812
• Log P: 0.9082812
• Molar Refractivity: 86.5833 cm^3
• Polarizability: 29.887444 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble50 mg/mL, clear, colorless
• Melting Point: 246 °C (dec.)(lit.); -9°C; ca 237°C dec.
• Boiling Point: 80°C
• Flash Point: 18 °C; 64.4 °F
• Density: 0.892 g/ml
• Refractive Index: n20/D 1.426

Safety Information

• Storage Warning: Hygroscopic
• RTECS: JR2122500
• European Hazard Symbols: Flammable (F); Nature polluting (N); X; Irritant (Xi); Harmful (Xn)
• UN Number: 1993; 3077; UN3077
• German water hazard class: 3
• Hazard Class: 3; 9
• Packing Group: 2; 3; III
• Risk Statements: 11-22-36/37/38-50/53-67; 22-36/37/38-50/53; R:11-36/37/38
• Safety Statements: 16-26-61; 26-36/37-60-61; 26-61; S:9-16-25-26
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07; GHS09
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H225-H301-H315-H319-H335-H336-H410; H301-H315-H319-H335-H400-H410; H302-H315-H319-H335-H410
• GHS Precautionary statements: P210-P261-P273-P301 + P310-P305 + P351 + P338-P501; P261-P273-P305 + P351 + P338-P501; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2; UN 3077 9/PG 3

Product Information

• Purity: ≥98.0% (AT); ≥99.0% (AT); 95+%; 97%
• Concentration: ~50% in isopropanol/water 4:1 (AT)
• Grade: purum
• Description: cationic
• Linear Formula: CH3(CH2)11N(CH3)3Cl

DETAILS

MP Biomedicals - 05204484

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 44242

Packaging
25, 100 g in glass bottle