4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine hydrochloride

• ChemBase ID: 294548
• Molecular Formular: C11H21BClNO2
• Molecular Mass: 245.55394
• Monoisotopic Mass: 245.135387
• SMILES: CC1(C)C(C)(C)OB(C2=CCNCC2)O1.Cl
• Canonical SMILES: CC1(C)OB(OC1(C)C)C1=CCNCC1.Cl
• InChI: InChI=1S/C11H20BNO2.ClH/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;/h5,13H,6-8H2,1-4H3;1H
• InChIKey: WNMYCAJTXUCHBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine hydrochloride
• IUPAC Traditional name: 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine hydrochloride
• Synonyms: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine hydrochloride

Database IDs

• CAS Number: 1121057-75-7
• MDL Number: MFCD11506076
• PubChem SID: 180680079
• PubChem CID: 49761084

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.024291
• LogD (pH = 7.4): -0.88403374
• Log P: 1.505
• Molar Refractivity: 57.3645 cm^3
• Polarizability: 24.189608 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%