Home > Compound List > Compound details
1147531-06-3 molecular structure
click picture or here to close

2-{[(tert-butyldimethylsilyl)oxy]methyl}-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

ChemBase ID: 65841
Molecular Formular: C19H34BNO3Si
Molecular Mass: 363.37466
Monoisotopic Mass: 363.24010089
SMILES and InChIs

SMILES:
c1ccc(c(c1B1OC(C(O1)(C)C)(C)C)CO[Si](C)(C)C(C)(C)C)N
Canonical SMILES:
Nc1cccc(c1CO[Si](C(C)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C19H34BNO3Si/c1-17(2,3)25(8,9)22-13-14-15(11-10-12-16(14)21)20-23-18(4,5)19(6,7)24-20/h10-12H,13,21H2,1-9H3
InChIKey:
RDPWWGOPOPTYHD-UHFFFAOYSA-N

Cite this record

CBID:65841 http://www.chembase.cn/molecule-65841.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[(tert-butyldimethylsilyl)oxy]methyl}-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC Traditional name
2-{[(tert-butyldimethylsilyl)oxy]methyl}-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Synonyms
2-((tert-Butyldimethylsilyloxy)methyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
2-(((tert-Butyldimethylsilyl)oxy)methyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS Number
1147531-06-3
MDL Number
MFCD21648246
PubChem SID
162031580
PubChem CID
66598891

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 66598891 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1450677  LogD (pH = 7.4) 5.1453958 
Log P 5.1454  Molar Refractivity 97.0775 cm3
Polarizability 41.652386 Å3 Polar Surface Area 53.71 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% 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