tetrabutylazanium

• ChemBase ID: 1621
• Molecular Formular: C16H36N+
• Molecular Mass: 242.46374
• Monoisotopic Mass: 242.28477516
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1
• InChIKey: DZLFLBLQUQXARW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylazanium
• IUPAC Traditional name: tetrabutylammonium ion
• Synonyms: Tetrabutylammonium Ion

Database IDs

• CAS Number: 2052-49-5
• PubChem SID: 160965078; 46507097
• PubChem CID: 16028

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3234289
• LogD (pH = 7.4): 1.3234289
• Log P: 1.3234289
• Molar Refractivity: 91.3961 cm^3
• Polarizability: 31.734425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 3.54
• LOG S: -7.39
• Solubility (Water): 1.14e-05 g/l

DETAILS

DrugBank - DB01851

Drug information: experimental