tetrapentylazanium perchlorate

• ChemBase ID: 156256
• Molecular Formular: C20H44ClNO4
• Molecular Mass: 398.02066
• Monoisotopic Mass: 397.29588657
• SMILES: CCCCC[N+](CCCCC)(CCCCC)CCCCC.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.CCCCC[N+](CCCCC)(CCCCC)CCCCC
• InChI: InChI=1S/C20H44N.ClHO4/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;2-1(3,4)5/h5-20H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
• InChIKey: DSBPYRNQAGOJAI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapentylazanium perchlorate
• IUPAC Traditional name: tetrapentylammonium perchlorate
• Synonyms: Tetrapentylammonium perchlorate; 四戊基高氯酸铵

Database IDs

• CAS Number: 4328-09-0
• MDL Number: MFCD00270146
• Beilstein Number: 6168234
• PubChem SID: 162250394; 24889041
• PubChem CID: 16218668

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

• Solubility: acetonitrile: soluble0.1 g/mL, clear, colorless (hot)
• Melting Point: 117-119 °C

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1479
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 8-36/37/38
• Safety Statements: 17-26-36
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, 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 1479 5.1/PG 2

Product Information

• Purity: ≥99.0% (C)
• Grade: electrochemical grade; puriss.
• Linear Formula: [CH3(CH2)3CH2]4N(ClO4)

DETAILS

Sigma Aldrich - 88013

General description
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