trimethyl(tetradecyl)azanium chloride

• ChemBase ID: 152619
• Molecular Formular: C17H38ClN
• Molecular Mass: 291.94332
• Monoisotopic Mass: 291.2692779
• SMILES: CCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• Canonical SMILES: CCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C17H38N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
• InChIKey: CEYYIKYYFSTQRU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(tetradecyl)azanium chloride
• IUPAC Traditional name: trimethyl(tetradecyl)azanium chloride
• Synonyms: Tetradecyltrimethylammonium chloride; Trimethyl-tetradecylammonium chloride; Myristyltrimethylammonium chloride; Trimethyl-n-tetradecylammonium chloride; (1-Tetradecyl)trimethylammonium chloride; N,N,N-Trimethyltetradecan-1-aminium chloride; 三甲基十四烷基氯化铵; 十四烷基三甲基氯化铵; (1-十四烷基)三甲基氯化铵

Database IDs

• CAS Number: 4574-04-3
• EC Number: 224-958-6
• MDL Number: MFCD00059968
• Beilstein Number: 3916572
• PubChem SID: 24888731; 162246763
• PubChem CID: 20708

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7974185
• LogD (pH = 7.4): 1.7974185
• Log P: 1.7974185
• Molar Refractivity: 95.7853 cm^3
• Polarizability: 33.581413 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~250 °C (dec.)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: XB7985000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (AT); 95+%; 98%
• Linear Formula: CH3(CH2)13N(Cl)(CH3)3

DETAILS

Sigma Aldrich - 87212

Packaging
5 g in glass bottle