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1073371-87-5 molecular structure
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2-propoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

ChemBase ID: 290777
Molecular Formular: C14H22BNO3
Molecular Mass: 263.14038
Monoisotopic Mass: 263.16927397
SMILES and InChIs

SMILES:
CC1(C)C(C)(C)OB(c2cccnc2OCCC)O1
Canonical SMILES:
CCCOc1ncccc1B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C14H22BNO3/c1-6-10-17-12-11(8-7-9-16-12)15-18-13(2,3)14(4,5)19-15/h7-9H,6,10H2,1-5H3
InChIKey:
NEKFTDDYHKYVSI-UHFFFAOYSA-N

Cite this record

CBID:290777 http://www.chembase.cn/molecule-290777.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-propoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Traditional name
2-propoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Synonyms
2-Propoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2-n-Propoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2-n-Propoxypyridine-3-boronic acid pinacol ester
2-正丙氧基吡啶-3-硼酸频哪醇酯
CAS Number
1073371-87-5
MDL Number
MFCD07781169
PubChem SID
180676308
PubChem CID
24208791

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24208791 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.845402  LogD (pH = 7.4) 3.8454988 
Log P 3.8455  Molar Refractivity 69.6055 cm3
Polarizability 29.307613 Å3 Polar Surface Area 40.58 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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