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1073354-97-8 molecular structure
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3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

ChemBase ID: 87570
Molecular Formular: C11H17BN2O2
Molecular Mass: 220.07588
Monoisotopic Mass: 220.13830819
SMILES and InChIs

SMILES:
O1B(c2c(nccc2)N)OC(C1(C)C)(C)C
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1cccnc1N
InChI:
InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13/h5-7H,1-4H3,(H2,13,14)
InChIKey:
FSJAKASJCJZKET-UHFFFAOYSA-N

Cite this record

CBID:87570 http://www.chembase.cn/molecule-87570.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
IUPAC Traditional name
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
Synonyms
2-Aminopyridine-3-boronic acid, pinacol ester
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CAS Number
1073354-97-8
MDL Number
MFCD09260488
PubChem SID
162074610
PubChem CID
43811067

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 43811067 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) 2.0632725 
LogD (pH = 7.4) 2.494132  Log P 2.5039 
Molar Refractivity 58.5701 cm3 Polarizability 24.24182 Å3
Polar Surface Area 57.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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