dimethyl[tris(dimethylamino)diboran-1-yl]amine

• ChemBase ID: 91861
• Molecular Formular: C8H24B2N4
• Molecular Mass: 197.92496
• Monoisotopic Mass: 198.21870759
• SMILES: B(N(C)C)(N(C)C)B(N(C)C)N(C)C
• Canonical SMILES: CN(B(B(N(C)C)N(C)C)N(C)C)C
• InChI: InChI=1S/C8H24B2N4/c1-11(2)9(12(3)4)10(13(5)6)14(7)8/h1-8H3
• InChIKey: KMCDRSZVZMXKRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[tris(dimethylamino)diboran-1-yl]amine
• IUPAC Traditional name: dimethyl[tris(dimethylamino)diboran-1-yl]amine
• Synonyms: Tetrakis(dimethylamino)diboron

Database IDs

• CAS Number: 1630-79-1
• MDL Number: MFCD00048012
• PubChem SID: 162078559
• PubChem CID: 137125

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9038938
• LogD (pH = 7.4): 1.3453959
• Log P: 1.3528
• Molar Refractivity: 55.5736 cm^3
• Polarizability: 25.627026 Å^3
• Polar Surface Area: 12.96 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant