tetrabutylazanium $l^{1}-boranuidylidene

• ChemBase ID: 89798
• Molecular Formular: C16H36BN
• Molecular Mass: 253.27474
• Monoisotopic Mass: 253.29408056
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[B-]
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[B-]
• InChI: InChI=1S/C16H36N.B/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;/q+1;-1
• InChIKey: SGIQRFZMJGZMNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylazanium $l^{1}-boranuidylidene
• IUPAC Traditional name: tetrabutylammonium ion $l^{1}-boranuidylidene
• Synonyms: Tetra-n-butylammonium borohydride 98%

Database IDs

• CAS Number: 33725-74-5
• MDL Number: MFCD00012035
• PubChem SID: 162076654
• PubChem CID: 0

CALCULATED PROPERTIES

• 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

PROPERTIES

Physical Property

• Melting Point: 124-128°C

Safety Information

• Storage Warning: Flammable/Corrosive/Moisture Sensitive