Home Other Building Blocks 1,4,7-Trioxa-10-azacyclododecane

1,4,7-Trioxa-10-azacyclododecane

CAS No.:
41775-76-2
Catalog Number:
AG003DLX
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
>98.0%(T)
1 week
United States
$157
- +
1g
>98.0%(T)
1 week
United States
$438
- +
Product Description
Catalog Number:
AG003DLX
Chemical Name:
1,4,7-Trioxa-10-azacyclododecane
CAS Number:
41775-76-2
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
MDL Number:
MFCD00134269
IUPAC Name:
1,4,7-trioxa-10-azacyclododecane
InChI:
InChI=1S/C8H17NO3/c1-3-10-5-7-12-8-6-11-4-2-9-1/h9H,1-8H2
InChI Key:
QNSRHBOZQLXYNV-UHFFFAOYSA-N
SMILES:
C1NCCOCCOCCOC1
EC Number:
255-549-0
Properties
Complexity:
90.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.121g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.228g/mol
Monoisotopic Mass:
175.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
7Li NMR chemical shift titration and theoretical DFT calculation studies: solvent and anion effects on second-order complexation of 12-crown-4 and 1-aza-12-crown-4 with lithium cation in several aprotic solvents. Magnetic resonance in chemistry : MRC 20100201
Phosphorus-nitrogen compounds. 18. Syntheses, stereogenic properties, structural and electrochemical investigations, biological activities, and DNA interactions of new spirocyclic mono- and bisferrocenylphosphazene derivatives. Inorganic chemistry 20091102
Hierarchy of hydrogen bonding in bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate. Acta crystallographica. Section C, Crystal structure communications 20060101
Adsorption and isotope effects by ion exchange with 1-aza-12-crown-4 bonded Merrifield peptide resin. Journal of colloid and interface science 20030715
Properties