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942070-70-4 molecular structure
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1,2-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole

ChemBase ID: 814499
Molecular Formular: C11H19BN2O2
Molecular Mass: 222.09176
Monoisotopic Mass: 222.15395826
SMILES and InChIs

SMILES:
n1(c(ncc1B1OC(C(O1)(C)C)(C)C)C)C
Canonical SMILES:
Cn1c(C)ncc1B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C11H19BN2O2/c1-8-13-7-9(14(8)6)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
InChIKey:
ZPNAEIOTYVVDOJ-UHFFFAOYSA-N

Cite this record

CBID:814499 http://www.chembase.cn/molecule-814499.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole
IUPAC Traditional name
1,2-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
Synonyms
1,2-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole
CAS Number
942070-70-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36680 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) 1.5146697  LogD (pH = 7.4) 2.061652 
Log P 2.0783  Molar Refractivity 57.2586 cm3
Polarizability 24.34584 Å3 Polar Surface Area 36.28 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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