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919101-35-2 molecular structure
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6-{[(tert-butyldimethylsilyl)oxy]methyl}-2-(3-{[(tert-butyldimethylsilyl)oxy]methyl}aziridin-2-yl)-3-oxa-1-azabicyclo[3.1.0]hexan-4-ol

ChemBase ID: 141680
Molecular Formular: C20H42N2O4Si2
Molecular Mass: 430.72948
Monoisotopic Mass: 430.2683109
SMILES and InChIs

SMILES:
CC(C)(C)[Si](C)(C)OCC1C(N1)C1N2C(C2C(O1)O)CO[Si](C)(C)C(C)(C)C
Canonical SMILES:
OC1OC(N2C1C2CO[Si](C(C)(C)C)(C)C)C1NC1CO[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C20H42N2O4Si2/c1-19(2,3)27(7,8)24-11-13-15(21-13)17-22-14(16(22)18(23)26-17)12-25-28(9,10)20(4,5)6/h13-18,21,23H,11-12H2,1-10H3
InChIKey:
TVJBDLSJTDKBNQ-UHFFFAOYSA-N

Cite this record

CBID:141680 http://www.chembase.cn/molecule-141680.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-{[(tert-butyldimethylsilyl)oxy]methyl}-2-(3-{[(tert-butyldimethylsilyl)oxy]methyl}aziridin-2-yl)-3-oxa-1-azabicyclo[3.1.0]hexan-4-ol
IUPAC Traditional name
6-{[(tert-butyldimethylsilyl)oxy]methyl}-2-(3-{[(tert-butyldimethylsilyl)oxy]methyl}aziridin-2-yl)-3-oxa-1-azabicyclo[3.1.0]hexan-4-ol
Synonyms
6-[(tert-Butyldimethylsilyloxy)methyl]-2-[3-[(tert-butyldimethylsilyloxy)methyl]-2-aziridinyl]-3-oxa-1-azabicyclo[3.1.0]hexan-4-ol
3-[(tert-Butyldimethylsilyloxy)methyl]aziridine-2-carboxaldehyde dimer
6-[(叔丁基二甲基硅氧基)甲基]-2-[3-[(叔丁基二甲基硅氧基)甲基]-2-氮丙啶基]-3-氧杂-1-氮杂双环[3.1.0]己烷-4-醇
3-[(叔丁基二甲基硅氧基)甲基]氮杂环丙烷-2-甲醛二聚物
CAS Number
919101-35-2
PubChem SID
162235914
PubChem CID
71310679

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
695513 external link Add to cart Please log in.
Data Source Data ID
PubChem 71310679 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.73678  H Acceptors
H Donor LogD (pH = 5.5) 3.359223 
LogD (pH = 7.4) 3.5290222  Log P 3.5317 
Molar Refractivity 104.5781 cm3 Polarizability 47.009136 Å3
Polar Surface Area 72.87 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
149 °F expand Show data source
65 °C expand Show data source
Density
0.953 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.456 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
37/38-41-42/43 expand Show data source
Safety Statements
23-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H317-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Empirical Formula (Hill Notation)
C20H42N2O4Si2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 695513 external link
Packaging
1 g in glass bottle
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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