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134179-38-7 molecular structure
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1-[2-(2-aminoethoxy)ethoxy]-2-(2-azidoethoxy)ethane

ChemBase ID: 92108
Molecular Formular: C8H18N4O3
Molecular Mass: 218.25352
Monoisotopic Mass: 218.13789046
SMILES and InChIs

SMILES:
NCCOCCOCCOCCN=[N+]=[N-]
Canonical SMILES:
NCCOCCOCCOCCN=[N+]=[N-]
InChI:
InChI=1S/C8H18N4O3/c9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h1-9H2
InChIKey:
FPVCVHVTMPCZTH-UHFFFAOYSA-N

Cite this record

CBID:92108 http://www.chembase.cn/molecule-92108.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2-(2-aminoethoxy)ethoxy]-2-(2-azidoethoxy)ethane
IUPAC Traditional name
1-[2-(2-aminoethoxy)ethoxy]-2-(2-azidoethoxy)ethane
Synonyms
2-{2-[2-(2-Azidoethoxy)ethoxy]ethoxy}ethylamine
1-Amino-11-azido-3,6,9-trioxaundecane
11-Azido-3,6,9-trioxaundecylamine
O-(2-Aminoethyl)-O′-(2-azidoethyl)diethylene glycol
11-Azido-3,6,9-trioxaundecan-1-amine
2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethanamine
11-Azido-3,6,9-trioxaundecan-1-amine
1-Amino-11-azido-3,6,9-trioxaundecane
1-氨基-11-叠氮-3,6,9-三氧杂十一烷
2-{2-[2-(2-叠氮乙氧基)乙氧基]乙氧基}乙胺
O-(2-氨乙基)-O′-(2-叠氮乙基)二乙二醇
11-叠氮-3,6,9-三氧杂十一烷-1-胺
CAS Number
134179-38-7
MDL Number
MFCD00269874
Beilstein Number
4745506
PubChem SID
162078806
24850371
PubChem CID
2735280

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2735280 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.6874695  H Acceptors
H Donor LogD (pH = 5.5) -3.7332926 
LogD (pH = 7.4) -2.7576044  Log P -0.63614297 
Molar Refractivity 55.6341 cm3 Polarizability 21.419281 Å3
Polar Surface Area 83.14 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ether expand Show data source
Ethyl Acetate expand Show data source
Methanol,Water, expand Show data source
Apperance
Very Pale Yellow Oil expand Show data source
Boiling Point
198-202°C expand Show data source
198-202°C expand Show data source
Density
1.10 g/mL at 20 °C(lit.) expand Show data source
1.100 expand Show data source
Refractive Index
1.4700 expand Show data source
n20/D 1.470 expand Show data source
Storage Condition
Amber Vial, Refrigerator, Under Inert Atmosphere expand Show data source
Storage Warning
Corrosive/Light Sensitive/Moisture Sensitive/Keep Cold/Store under Argon expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2735 8/PG 3 expand Show data source
Purity
≥90% (GC) expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C8H18N4O3 expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich TRC TRC
Apollo Scientific Ltd - OR8503T external link
Heterobifunctional PRG derivative. Contains a free aminethat can be conjugated to biological molecules directly by an amide linkage (or via the corresponding isothiocyanate).
Sigma Aldrich - 17758 external link
Other Notes
Bifunctional, hydrophilic linker1,2
Packaging
1, 5 mL in glass bottle
Toronto Research Chemicals - A585000 external link
A PEG derivative, which contains a free amine that can be conjugated to biological molecules directly by an amide linkage (or via the corresponding isothiocyanate) and an azide that can be reduced to an amine for conjugation to other molecules. PEG deri

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Aslan, K., et al.: J. Fluoresc., 14, 391 (2004)
  • • Gole, A., et al.: Langmuir, 20, 7117 (2004)
  • • Cavalcante, A., et al.: Biochem. Eng. J., 29, 258 (2004)
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PATENTS

PATENTS

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INTERNET

INTERNET

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