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1346697-33-3 molecular structure
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dimethyl(3-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}propyl)amine

ChemBase ID: 796745
Molecular Formular: C16H27BN2O3
Molecular Mass: 306.20818
Monoisotopic Mass: 306.21147313
SMILES and InChIs

SMILES:
C(CCOc1nccc(c1)B1OC(C(O1)(C)C)(C)C)N(C)C
Canonical SMILES:
CN(CCCOc1nccc(c1)B1OC(C(O1)(C)C)(C)C)C
InChI:
InChI=1S/C16H27BN2O3/c1-15(2)16(3,4)22-17(21-15)13-8-9-18-14(12-13)20-11-7-10-19(5)6/h8-9,12H,7,10-11H2,1-6H3
InChIKey:
GSYHMNJGRZPKFX-UHFFFAOYSA-N

Cite this record

CBID:796745 http://www.chembase.cn/molecule-796745.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl(3-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}propyl)amine
IUPAC Traditional name
dimethyl(3-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}propyl)amine
Synonyms
N,N-DiMethyl-3-((4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)oxy)propan-1-aMine
CAS Number
1346697-33-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4154 external link Add to cart
Data Source Data ID Price
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AJA-O4154 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) -0.42154172  LogD (pH = 7.4) 1.2076157 
Log P 3.0656  Molar Refractivity 83.2174 cm3
Polarizability 34.517284 Å3 Polar Surface Area 43.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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