N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholin-4-amine

• ChemBase ID: 296368
• Molecular Formular: C15H24BN3O3
• Molecular Mass: 305.18036
• Monoisotopic Mass: 305.19107204
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(nc1)NN1CCOCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(nc1)NN1CCOCC1
• InChI: InChI=1S/C15H24BN3O3/c1-14(2)15(3,4)22-16(21-14)12-5-6-13(17-11-12)18-19-7-9-20-10-8-19/h5-6,11H,7-10H2,1-4H3,(H,17,18)
• InChIKey: QBJANJDOISUFGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholin-4-amine
• IUPAC Traditional name: N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholin-4-amine
• Synonyms: N-(4-Morpholinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinamine; 6-(4-Morpholinylamino)pyridine-3-boronic acid pinacol ester; 6-(4-MORPHOLINEAMINO)PYRIDINE-3-BORONIC ACID PINACOL ESTER; 6-(4-吗啡氨基)吡啶-3-硼酸频哪酯

Database IDs

• CAS Number: 1073354-38-7
• MDL Number: MFCD06798279
• PubChem SID: 180681899
• PubChem CID: 44755170

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.8879456
• LogD (pH = 7.4): 2.109822
• Log P: 2.2723
• Molar Refractivity: 81.2602 cm^3
• Polarizability: 33.000156 Å^3
• Polar Surface Area: 55.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 18.611723
• H Acceptors: 6
• H Donor: 1

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 98%