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485799-04-0 molecular structure
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4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine

ChemBase ID: 16263
Molecular Formular: C15H23BN2O3
Molecular Mass: 290.16572
Monoisotopic Mass: 290.18017301
SMILES and InChIs

SMILES:
c1cc(cnc1N1CCOCC1)B1OC(C(O1)(C)C)(C)C
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1ccc(nc1)N1CCOCC1
InChI:
InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(17-11-12)18-7-9-19-10-8-18/h5-6,11H,7-10H2,1-4H3
InChIKey:
ZGDLVKWIZHHWIR-UHFFFAOYSA-N

Cite this record

CBID:16263 http://www.chembase.cn/molecule-16263.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
IUPAC Traditional name
4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
Synonyms
4-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
6-(4-Morpholino)pyridine-3-boronic acid pinacol ester
6-(4-Morpholinyl)pyridine-3-boronic acid pinacol ester
1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
6-(Morpholin-4-yl)pyridine-3-boronic acid pinacol ester
4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl-pyridin-2-yl]-morpholine
2-Morpholinopyridine-5-boronic acid, pinacol ester
4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-morpholine
6-(MORPHOLIN-4-YL)PYRIDINE-3-BORONIC ACID PINACOL ESTER
4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)morpholine
6-(4-吗啉基)吡啶-3-硼酸频哪醇酯
1-[5-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)吡啶-2-基]吗啉
6-(吗啉-4-基)吡啶-3-硼酸频哪醇酯
CAS Number
485799-04-0
MDL Number
MFCD04039874
PubChem SID
24884028
160979570
PubChem CID
2795363

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0334423  LogD (pH = 7.4) 3.206166 
Log P 3.2089  Molar Refractivity 77.3728 cm3
Polarizability 31.572851 Å3 Polar Surface Area 43.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
132-135°C expand Show data source
133.6-133.8°C expand Show data source
135-139 °C(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C15H23BN2O3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 654310 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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