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1192838-57-5 molecular structure
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2-(tert-butoxy)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

ChemBase ID: 804814
Molecular Formular: C14H23BN2O3
Molecular Mass: 278.15502
Monoisotopic Mass: 278.18017301
SMILES and InChIs

SMILES:
CC1(C)OB(OC1(C)C)c1cnc(cn1)OC(C)(C)C
Canonical SMILES:
CC(Oc1cnc(cn1)B1OC(C(O1)(C)C)(C)C)(C)C
InChI:
InChI=1S/C14H23BN2O3/c1-12(2,3)18-11-9-16-10(8-17-11)15-19-13(4,5)14(6,7)20-15/h8-9H,1-7H3
InChIKey:
PZTUGVQMBGNEAZ-UHFFFAOYSA-N

Cite this record

CBID:804814 http://www.chembase.cn/molecule-804814.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(tert-butoxy)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
IUPAC Traditional name
2-(tert-butoxy)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
Synonyms
5-(TERT-BUTOXY)PYRAZINE-2-BORONIC ACID PINACOL ESTER
CAS Number
1192838-57-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21997 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21997 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2549  LogD (pH = 7.4) 3.2549 
Log P 3.2549  Molar Refractivity 72.2951 cm3
Polarizability 30.26571 Å3 Polar Surface Area 53.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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