Home > Compound List > Compound details
516493-93-9 molecular structure
click picture or here to close

17-azido-3,6,9,12,15-pentaoxaheptadecan-1-amine

ChemBase ID: 160084
Molecular Formular: C12H26N4O5
Molecular Mass: 306.35864
Monoisotopic Mass: 306.19031995
SMILES and InChIs

SMILES:
NCCOCCOCCOCCOCCOCCN=[N+]=[N-]
Canonical SMILES:
NCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI:
InChI=1S/C12H26N4O5/c13-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-15-16-14/h1-13H2
InChIKey:
SVPBRIZYFJFLOL-UHFFFAOYSA-N

Cite this record

CBID:160084 http://www.chembase.cn/molecule-160084.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
17-azido-3,6,9,12,15-pentaoxaheptadecan-1-amine
IUPAC Traditional name
17-azido-3,6,9,12,15-pentaoxaheptadecan-1-amine
Synonyms
17-Azido-3,6,9,12,15-pentaoxaheptadecan-1-amine
O-(2-Aminoethyl)-O'-(2-azidoethyl)tetraethylene Glycol
CAS Number
516493-93-9
PubChem SID
162254219
PubChem CID
21894476

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A608870 external link Add to cart
PubChem 21894476 external link
Data Source Data ID Price
TRC
A608870 external link Add to cart Please log in.
Data Source Data ID
PubChem 21894476 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.8272436  LogD (pH = 7.4) -2.8515553 
Log P -0.730094  Molar Refractivity 77.7211 cm3
Polarizability 30.205156 Å3 Polar Surface Area 101.6 Å2
Rotatable Bonds 17  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A608870 external link
A heterobifunctional polyethyleneglycol (PEG) derivative used in the preparation terminal labeling agents of DNA; a useful reagent used in the construction of intramolecular linkers.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Mark, I.S. et al.: Bioconj. Chem., 22, 1259 (2011)
  • • Kim, B. et al.: Nano Lett., 5, 1987 (2011)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle