Home > Compound List > Compound details
1218790-32-9 molecular structure
click picture or here to close

benzyl N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate

ChemBase ID: 290540
Molecular Formular: C19H23BN2O4
Molecular Mass: 354.20792
Monoisotopic Mass: 354.17508763
SMILES and InChIs

SMILES:
O=C(OCc1ccccc1)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1
Canonical SMILES:
O=C(Nc1ccc(cn1)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
InChI:
InChI=1S/C19H23BN2O4/c1-18(2)19(3,4)26-20(25-18)15-10-11-16(21-12-15)22-17(23)24-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,21,22,23)
InChIKey:
ZNTOHEZTSVNZCA-UHFFFAOYSA-N

Cite this record

CBID:290540 http://www.chembase.cn/molecule-290540.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
IUPAC Traditional name
benzyl N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
Synonyms
Benzyl (5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)carbamate
CAS Number
1218790-32-9
PubChem SID
180676071
PubChem CID
53217213

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229787 Please log in.
Data Source Data ID
PubChem 53217213 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.739345  H Acceptors
H Donor LogD (pH = 5.5) 5.014114 
LogD (pH = 7.4) 5.014493  Log P 5.0145 
Molar Refractivity 94.9689 cm3 Polarizability 38.26779 Å3
Polar Surface Area 69.68 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle