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165963-71-3 molecular structure
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tert-butyl N-{2-[2-(2-bromoethoxy)ethoxy]ethyl}carbamate

ChemBase ID: 162503
Molecular Formular: C11H22BrNO4
Molecular Mass: 312.20068
Monoisotopic Mass: 311.07322019
SMILES and InChIs

SMILES:
BrCCOCCOCCNC(=O)OC(C)(C)C
Canonical SMILES:
BrCCOCCOCCNC(=O)OC(C)(C)C
InChI:
InChI=1S/C11H22BrNO4/c1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h4-9H2,1-3H3,(H,13,14)
InChIKey:
WGWDCMKAMHBDPO-UHFFFAOYSA-N

Cite this record

CBID:162503 http://www.chembase.cn/molecule-162503.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-{2-[2-(2-bromoethoxy)ethoxy]ethyl}carbamate
IUPAC Traditional name
tert-butyl N-{2-[2-(2-bromoethoxy)ethoxy]ethyl}carbamate
Synonyms
N-[2-[2-(2-Bromoethoxy)ethoxy]ethyl]carbamic Acid 1,1-Dimethylethyl Ester
2-[2-[2-(tert-Butoxycarbonylamino)ethoxy]ethoxy]ethyl Bromide
2-[2-(2-t-Boc-aminoethoxy]ethoxy]ethyl Bromide
CAS Number
165963-71-3
PubChem SID
162256638
PubChem CID
22471886

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B618590 external link Add to cart
PubChem 22471886 external link
Data Source Data ID Price
TRC
B618590 external link Add to cart Please log in.
Data Source Data ID
PubChem 22471886 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.074539  H Acceptors
H Donor LogD (pH = 5.5) 1.6226726 
LogD (pH = 7.4) 1.6226726  Log P 1.6226726 
Molar Refractivity 69.2056 cm3 Polarizability 27.151453 Å3
Polar Surface Area 56.79 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
Yellowish Brown Oil expand Show data source
Storage Condition
Amber Vial, -20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - B618590 external link
A cross-linking reagent.

REFERENCES

REFERENCES

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  • • Hatanaka, Y., et al.: Bioorg. Med. Chem., 2, 1367 (1994)
  • • Li, X., et al.: J. Med. Chem., 51, 3057 (1994)
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PATENTS

PATENTS

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INTERNET

INTERNET

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