potassium [(dimethylamino)methyl]trifluoroboranuide

• ChemBase ID: 135902
• Molecular Formular: C3H8BF3KN
• Molecular Mass: 165.0068296
• Monoisotopic Mass: 165.033896
• SMILES: [B-](CN(C)C)(F)(F)F.[K+]
• Canonical SMILES: F[B-](CN(C)C)(F)F.[K+]
• InChI: InChI=1S/C3H8BF3N.K/c1-8(2)3-4(5,6)7;/h3H2,1-2H3;/q-1;+1
• InChIKey: RSVQKXNUTHTPLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium [(dimethylamino)methyl]trifluoroboranuide
• IUPAC Traditional name: potassium [(dimethylamino)methyl]trifluoroboranuide
• Synonyms: Potassium (N,N-dimethylaminomethyl)trifluoroboronate; (N,N-二甲基氨甲基)三氟硼酸钾

Database IDs

• CAS Number: 1150655-04-1
• MDL Number: MFCD10700163
• PubChem SID: 162230173
• PubChem CID: 45588179

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8240492
• LogD (pH = 7.4): 0.8309118
• Log P: 0.831
• Molar Refractivity: 23.216 cm^3
• Polarizability: 9.489318 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165-170 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Empirical Formula (Hill Notation): C3H8BF3KN