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126875-53-4 | 1,13-Dioxa-4,7,10,16,19,22-hexaazacyclotetracosane, hydrochloride (1:6)
CAS No: 126875-53-4 Catalog No: AG000TEO MDL No:
Product Description
Catalog Number:
AG000TEO
Chemical Name:
1,13-Dioxa-4,7,10,16,19,22-hexaazacyclotetracosane, hydrochloride (1:6)
CAS Number:
126875-53-4
Molecular Formula:
C16H44Cl6N6O2
Molecular Weight:
565.2776
IUPAC Name:
1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane;hexahydrochloride
InChI:
InChI=1S/C16H38N6O2.6ClH/c1-5-19-9-13-23-15-11-21-7-3-18-4-8-22-12-16-24-14-10-20-6-2-17-1;;;;;;/h17-22H,1-16H2;6*1H
InChI Key:
WYWOLBQPSTXNCL-UHFFFAOYSA-N
SMILES:
N1CCNCCOCCNCCNCCNCCOCCNCC1.Cl.Cl.Cl.Cl.Cl.Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
7
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
564.163g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
12
Isotope Atom Count:
0
Molecular Weight:
565.268g/mol
Monoisotopic Mass:
562.166g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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