tetrafluoroboranuide; {[bis(propan-2-yl)amino]methylidene}bis(propan-2-yl)azanium

• ChemBase ID: 142848
• Molecular Formular: C13H29BF4N2
• Molecular Mass: 300.1873728
• Monoisotopic Mass: 300.23599222
• SMILES: [B-](F)(F)(F)F.CC(C)N(C=[N+](C(C)C)C(C)C)C(C)C
• Canonical SMILES: F[B-](F)(F)F.CC(N(C(C)C)C=[N+](C(C)C)C(C)C)C
• InChI: InChI=1S/C13H29N2.BF4/c1-10(2)14(11(3)4)9-15(12(5)6)13(7)8;2-1(3,4)5/h9-13H,1-8H3;/q+1;-1
• InChIKey: PEKVUVXZBLFOHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoroboranuide; {[bis(propan-2-yl)amino]methylidene}bis(propan-2-yl)azanium
• IUPAC Traditional name: [(diisopropylamino)methylidene]diisopropylazanium tetrafluoroborate
• Synonyms: N,N,N′,N′-Tetraisopropylformamidinium tetrafluoroborate; Bis-(Diisopropylamino)methylium tetrafluoroborate; N-((Diisopropylamino)methylene)-N-diisopropylaminium tetrafluoroborate; 双-(二异丙基氨基)甲基四氟硼酸盐; N-((二异丙基氨基)亚甲基)-N-二异丙基四氟硼酸铵

Database IDs

• CAS Number: 369405-27-6
• MDL Number: MFCD15144860
• PubChem SID: 162237074
• PubChem CID: 11077431

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.66883165
• LogD (pH = 7.4): -0.66883165
• Log P: -0.66883165
• Molar Refractivity: 79.9018 cm^3
• Polarizability: 26.85501 Å^3
• Polar Surface Area: 6.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 280-284 °C

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C13H29BF4N2

DETAILS

Sigma Aldrich - 716782

Packaging
1 g in glass bottle
Legal Information
Sold under license from Kanata Chemical Technologies Inc. for research purposes only.
Application
Reactant for cross-coupling reactions1