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87736-83-2 molecular structure
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3-(4-{[(tert-butyldimethylsilyl)oxy]methyl}phenyl)-3-(trifluoromethyl)diaziridine

ChemBase ID: 179096
Molecular Formular: C15H23F3N2OSi
Molecular Mass: 332.4366296
Monoisotopic Mass: 332.15317456
SMILES and InChIs

SMILES:
c1c(ccc(c1)CO[Si](C(C)(C)C)(C)C)C1(NN1)C(F)(F)F
Canonical SMILES:
C[Si](C(C)(C)C)(OCc1ccc(cc1)C1(NN1)C(F)(F)F)C
InChI:
InChI=1S/C15H23F3N2OSi/c1-13(2,3)22(4,5)21-10-11-6-8-12(9-7-11)14(19-20-14)15(16,17)18/h6-9,19-20H,10H2,1-5H3
InChIKey:
RLGVOLTVADNIAS-UHFFFAOYSA-N

Cite this record

CBID:179096 http://www.chembase.cn/molecule-179096.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-{[(tert-butyldimethylsilyl)oxy]methyl}phenyl)-3-(trifluoromethyl)diaziridine
IUPAC Traditional name
3-(4-{[(tert-butyldimethylsilyl)oxy]methyl}phenyl)-3-(trifluoromethyl)diaziridine
Synonyms
3-[4-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]phenyl]-3-(trifluoromethyl)-diaziridine
4-[3-(Trifluoromethyl)-3H-diaziridine]benzyl Alcohol tert-Butyl(dimethyl)silyl Ether
CAS Number
87736-83-2
PubChem SID
164235006
PubChem CID
13063203

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T791260 external link Add to cart
PubChem 13063203 external link
Data Source Data ID Price
TRC
T791260 external link Add to cart Please log in.
Data Source Data ID
PubChem 13063203 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.3331  LogD (pH = 7.4) 5.3331 
Log P 5.3331  Molar Refractivity 98.8261 cm3
Polarizability 31.84436 Å3 Polar Surface Area 53.11 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Light Yellow Oil expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - T791260 external link
Photo-induced crosslinking reagent.

REFERENCES

REFERENCES

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  • • Smith, D. et al.; Chem. Comm. 44, 5728 (2008)
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PATENTS

PATENTS

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INTERNET

INTERNET

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