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827614-64-2 molecular structure
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5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

ChemBase ID: 65718
Molecular Formular: C11H17BN2O2
Molecular Mass: 220.07588
Monoisotopic Mass: 220.13830819
SMILES and InChIs

SMILES:
c1(ccc(nc1)N)B1OC(C(O1)(C)C)(C)C
Canonical SMILES:
Nc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3,(H2,13,14)
InChIKey:
YFTAUNOLAHRUIE-UHFFFAOYSA-N

Cite this record

CBID:65718 http://www.chembase.cn/molecule-65718.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
IUPAC Traditional name
5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
Synonyms
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl) yridine-2-amine
2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2-Aminopyridine-5-boronic acid, pinacol ester
(2-Aminopyridin-5-yl)boronic acid pinacol ester
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-Pyridinamine
6-Aminopyridine-3-boronic acid pinacol ester
2-Aminopyridine-5-boronic acid pinacol ester
6-Aminopyridine-3-boronic acid pinacol ester
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
2-氨基-5-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)吡啶
6-氨基吡啶-3-硼酸频哪醇酯
2-氨基吡啶-5-硼酸频哪醇酯
6-氨基吡啶-3-硼酸频哪醇酯
CAS Number
827614-64-2
MDL Number
MFCD05663837
PubChem SID
162031457
24883087
PubChem CID
2756555

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1370046  LogD (pH = 7.4) 2.496554 
Log P 2.5039  Molar Refractivity 58.5701 cm3
Polarizability 24.240517 Å3 Polar Surface Area 57.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
131-135 °C(lit.) expand Show data source
131-135°C expand Show data source
131-135°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Store under Argon 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
26-36/37 expand Show data source
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 Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C11H17BN2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 640379 external link
Application
Substrate used in a microwave-assisted, four-component coupling process leading to amino substituted imidazopyridines.1
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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