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1150561-72-0 molecular structure
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4-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine

ChemBase ID: 290580
Molecular Formular: C15H23BN2O3
Molecular Mass: 290.16572
Monoisotopic Mass: 290.18017301
SMILES and InChIs

SMILES:
CC1(C)C(C)(C)OB(c2cccnc2N2CCOCC2)O1
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1cccnc1N1CCOCC1
InChI:
InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-6-5-7-17-13(12)18-8-10-19-11-9-18/h5-7H,8-11H2,1-4H3
InChIKey:
JLCDXVWUDXAGHB-UHFFFAOYSA-N

Cite this record

CBID:290580 http://www.chembase.cn/molecule-290580.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
IUPAC Traditional name
4-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
Synonyms
4-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)morpholine
CAS Number
1150561-72-0
PubChem SID
180676111
PubChem CID
46737991

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229789 Please log in.
Data Source Data ID
PubChem 46737991 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.987278  LogD (pH = 7.4) 3.2052379 
Log P 3.2089  Molar Refractivity 77.3728 cm3
Polarizability 31.574205 Å3 Polar Surface Area 43.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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