tetrapropylazanium chloride

• ChemBase ID: 146949
• Molecular Formular: C12H28ClN
• Molecular Mass: 221.81042
• Monoisotopic Mass: 221.19102758
• SMILES: CCC[N+](CCC)(CCC)CCC.[Cl-]
• Canonical SMILES: CCC[N+](CCC)(CCC)CCC.[Cl-]
• InChI: InChI=1S/C12H28N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
• InChIKey: FBEVECUEMUUFKM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapropylazanium chloride
• IUPAC Traditional name: tetrapropylammonium chloride
• Synonyms: Tetra-n-propylammonium chloride; Tetrapropylammonium chloride; Tetrapropylammonium chloride; 四正丙基氯化铵; 四丙基氯化铵

Database IDs

• CAS Number: 5810-42-4
• EC Number: 227-375-5
• MDL Number: MFCD00038729
• Beilstein Number: 3567732
• PubChem SID: 24889055; 24867440; 162241141
• PubChem CID: 79880

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.45484576
• LogD (pH = 7.4): -0.45484576
• Log P: -0.45484576
• Molar Refractivity: 72.9921 cm^3
• Polarizability: 24.346558 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water, acetone
• Apperance: Crystalline
• Melting Point: 240-242 °C(lit.); 240-242°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37; 36/37/38
• Safety Statements: 26; 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H319-H335
• GHS Precautionary statements: P261-P280-P305+P351+P338-P304+P340-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (AT); 95+%; 98%; 99+%
• Grade: purum
• Impurities: ≤2% water
• Linear Formula: (CH3CH2CH2)4N(Cl)

DETAILS

Sigma Aldrich - 438243

Packaging
10, 50 g in glass bottle