potassium trifluoro(morpholin-4-ylmethyl)boranuide

• ChemBase ID: 45013
• Molecular Formular: C5H10BF3KNO
• Molecular Mass: 207.0435096
• Monoisotopic Mass: 207.04446069
• SMILES: C(N1CCOCC1)[B-](F)(F)F.[K+]
• Canonical SMILES: F[B-](CN1CCOCC1)(F)F.[K+]
• InChI: InChI=1S/C5H10BF3NO.K/c7-6(8,9)5-10-1-3-11-4-2-10;/h1-5H2;/q-1;+1
• InChIKey: KYDJCUCIKMUKQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(morpholin-4-ylmethyl)boranuide
• IUPAC Traditional name: potassium trifluoro(morpholin-4-ylmethyl)boranuide
• Synonyms: Potassium (morpholin-4-yl)methyltrifluoroborate

Database IDs

• CAS Number: 936329-94-1
• MDL Number: MFCD10566512
• PubChem SID: 162049776
• PubChem CID: 45588142

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.48825702
• LogD (pH = 7.4): 0.4883982
• Log P: 0.4884
• Molar Refractivity: 32.2905 cm^3
• Polarizability: 13.168486 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%