tetrapropylazanium iodide

• ChemBase ID: 140657
• Molecular Formular: C12H28IN
• Molecular Mass: 313.26189
• Monoisotopic Mass: 313.1266479
• SMILES: CCC[N+](CCC)(CCC)CCC.[I-]
• Canonical SMILES: CCC[N+](CCC)(CCC)CCC.[I-]
• InChI: InChI=1S/C12H28N.HI/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
• InChIKey: GKXDJYKZFZVASJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapropylazanium iodide
• IUPAC Traditional name: tetrapropylammonium iodide
• Synonyms: Tetrapropylammonium iodide; Tetra-n-propylammonium iodide; 四丙基碘化铵; 四正丙基碘化铵

Database IDs

• CAS Number: 631-40-3
• EC Number: 211-157-1
• MDL Number: MFCD00011842
• Beilstein Number: 3567386
• PubChem SID: 24889057; 24854127; 162234898
• PubChem CID: 12429

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

• Melting Point: 280-285 °C (dec.)(lit.); 283°C dec.

Safety Information

• Storage Warning: Hygroscopic
• RTECS: BS8410000
• 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%; ≥98.0% (AT); 98+%
• Grade: purum
• Linear Formula: (CH3CH2CH2)4N(I)

DETAILS

Sigma Aldrich - 235954

Packaging
25 g in glass bottle