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1186041-99-5 molecular structure
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4-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]morpholine

ChemBase ID: 804816
Molecular Formular: C14H22BN3O3
Molecular Mass: 291.15378
Monoisotopic Mass: 291.17542198
SMILES and InChIs

SMILES:
CC1(C)OB(OC1(C)C)c1cncc(n1)N1CCOCC1
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1cncc(n1)N1CCOCC1
InChI:
InChI=1S/C14H22BN3O3/c1-13(2)14(3,4)21-15(20-13)11-9-16-10-12(17-11)18-5-7-19-8-6-18/h9-10H,5-8H2,1-4H3
InChIKey:
BIQZTEOHDUGCQV-UHFFFAOYSA-N

Cite this record

CBID:804816 http://www.chembase.cn/molecule-804816.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]morpholine
IUPAC Traditional name
4-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]morpholine
Synonyms
6-MORPHOLINOPYRAZINE-2-BORONIC ACID PINACOL ESTER
CAS Number
1186041-99-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21999 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5955985  LogD (pH = 7.4) 2.5956 
Log P 2.5956  Molar Refractivity 75.5294 cm3
Polarizability 30.701727 Å3 Polar Surface Area 56.71 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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