tetrapentylazanium chloride

• ChemBase ID: 147044
• Molecular Formular: C20H44ClN
• Molecular Mass: 334.02306
• Monoisotopic Mass: 333.31622809
• SMILES: CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Cl-]
• Canonical SMILES: CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Cl-]
• InChI: InChI=1S/C20H44N.ClH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
• InChIKey: SXAWRMKQZKPHNJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapentylazanium chloride
• IUPAC Traditional name: tetrapentylammonium chloride
• Synonyms: Tetrapentylammonium chloride; 四戊基氯化铵

Database IDs

• CAS Number: 4965-17-7
• EC Number: 225-606-4
• MDL Number: MFCD00011857
• Beilstein Number: 3573674
• PubChem SID: 24855672; 24889038; 162241236
• PubChem CID: 78667

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1017036
• LogD (pH = 7.4): 3.1017036
• Log P: 3.1017036
• Molar Refractivity: 109.8001 cm^3
• Polarizability: 39.122406 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~195 °C
• Vapor Density: 11.5 (vs air)

Safety Information

• RTECS: RZ9275000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2928
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H317
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2928 6.1/PG 2

Product Information

• Purity: ≥98.0% (AT); 99%
• Grade: purum
• Linear Formula: [CH3(CH2)4]4N(Cl)

DETAILS

Sigma Aldrich - 258962

Packaging
1 g in glass bottle