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166388-57-4 molecular structure
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1-(2-aminoethoxy)-2-(2-azidoethoxy)ethane

ChemBase ID: 814158
Molecular Formular: C6H14N4O2
Molecular Mass: 174.20096
Monoisotopic Mass: 174.11167571
SMILES and InChIs

SMILES:
C(COCCOCCN=[N+]=[N-])N
Canonical SMILES:
NCCOCCOCCN=[N+]=[N-]
InChI:
InChI=1S/C6H14N4O2/c7-1-3-11-5-6-12-4-2-9-10-8/h1-7H2
InChIKey:
ZHWGWSYNZIZTFL-UHFFFAOYSA-N

Cite this record

CBID:814158 http://www.chembase.cn/molecule-814158.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-aminoethoxy)-2-(2-azidoethoxy)ethane
IUPAC Traditional name
1-(2-aminoethoxy)-2-(2-azidoethoxy)ethane
Synonyms
2-(2-(2-azidoethoxy)ethoxy)ethanamine
CAS Number
166388-57-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36303 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36303 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.6863172  LogD (pH = 7.4) -2.710629 
Log P -0.5891675  Molar Refractivity 44.5906 cm3
Polarizability 17.026382 Å3 Polar Surface Area 73.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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