tetrapentylazanium iodide

• ChemBase ID: 108031
• Molecular Formular: C20H44IN
• Molecular Mass: 425.47453
• Monoisotopic Mass: 425.25184841
• SMILES: [I-].CCCCC[N+](CCCCC)(CCCCC)CCCCC
• Canonical SMILES: CCCCC[N+](CCCCC)(CCCCC)CCCCC.[I-]
• InChI: InChI=1S/C20H44N.HI/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: FBLZDUAOBOMSNZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapentylazanium iodide
• IUPAC Traditional name: tetrapentylammonium iodide
• Synonyms: TETRAPENTYLAMMONIUM IODIDE; Tetrapentylammonium iodide; Tetra-n-amylammonium iodide; Tetra-n-pentylammonium iodide; 四戊基碘化铵; 四正庚基碘化铵

Database IDs

• CAS Number: 2498-20-6
• EC Number: 219-688-0
• MDL Number: MFCD00041980
• Beilstein Number: 3917412
• PubChem SID: 162094286; 24889035
• PubChem CID: 17248

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: 134-137 °C; 135-139°C

Safety Information

• Storage Warning: Light Sensitive
• 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); 98%
• Linear Formula: [CH3(CH2)4]4N(I)

DETAILS

MP Biomedicals - 05205816

MP Biomedicals Rare Chemical collection