triethyl(methyl)azanium chloride

• ChemBase ID: 146885
• Molecular Formular: C7H18ClN
• Molecular Mass: 151.67752
• Monoisotopic Mass: 151.11277726
• SMILES: CC[N+](C)(CC)CC.[Cl-]
• Canonical SMILES: CC[N+](CC)(CC)C.[Cl-]
• InChI: InChI=1S/C7H18N.ClH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1
• InChIKey: NIUZJTWSUGSWJI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triethyl(methyl)azanium chloride
• IUPAC Traditional name: triethyl(methyl)azanium chloride
• Synonyms: Methyltriethylammonium chloride; Triethylmethylammonium chloride; N,N-Diethyl-N-methylethanaminium chloride; 甲基三乙基氯化铵; 三乙基甲基氯化铵

Database IDs

• CAS Number: 10052-47-8
• MDL Number: MFCD00059972
• Beilstein Number: 3912434
• PubChem SID: 24867441; 162241077
• PubChem CID: 82326

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.9017432
• LogD (pH = 7.4): -2.9017432
• Log P: -2.9017432
• Molar Refractivity: 50.1475 cm^3
• Polarizability: 15.112125 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 282-284 °C(lit.); 282-284°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-36
• 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: ≥97.0% (calc. based on dry substance, AT); 95+%; 97%; 98%
• Grade: purum
• Impurities: ≤10% water
• Linear Formula: (C2H5)3N(Cl)CH3

DETAILS

Sigma Aldrich - 438278

Packaging
250 g in glass bottle