N,3-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

• ChemBase ID: 298758
• Molecular Formular: C13H21BN2O2
• Molecular Mass: 248.12904
• Monoisotopic Mass: 248.16960832
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cc(c(nc1)NC)C
• Canonical SMILES: CNc1ncc(cc1C)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H21BN2O2/c1-9-7-10(8-16-11(9)15-6)14-17-12(2,3)13(4,5)18-14/h7-8H,1-6H3,(H,15,16)
• InChIKey: VZNAKHVRKWXDMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• IUPAC Traditional name: N,3-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• Synonyms: 2-Methylamino-3-methylpyridine-5-boronic acid pinacol ester; 2-甲基胺基-3-甲基吡啶-5-硼酸频哪酯

Database IDs

• CAS Number: 1111637-92-3
• MDL Number: MFCD12923387
• PubChem SID: 180684289
• PubChem CID: 57416512

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7736883
• LogD (pH = 7.4): 3.3137274
• Log P: 3.3282
• Molar Refractivity: 69.1047 cm^3
• Polarizability: 27.84671 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

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-P501

Product Information

• Purity: 96%