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345612-63-7 | 1,4,8,11-Tetrakis(aminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane
CAS No: 345612-63-7 Catalog No: AG003DM2 MDL No:
Product Description
Catalog Number:
AG003DM2
Chemical Name:
1,4,8,11-Tetrakis(aminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane
CAS Number:
345612-63-7
IUPAC Name:
2-[4,8,11-tris(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide
InChI:
InChI=1S/C18H36N8O4/c19-15(27)11-23-3-1-4-24(12-16(20)28)8-10-26(14-18(22)30)6-2-5-25(9-7-23)13-17(21)29/h1-14H2,(H2,19,27)(H2,20,28)(H2,21,29)(H2,22,30)
InChI Key:
IELGXFGSUVHRIY-UHFFFAOYSA-N
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.286g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
428.538g/mol
Monoisotopic Mass:
428.286g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
Literature
| Title | Journal |
|---|---|
| [(1,4,8,11-Tetraazacyclotetradeca-1,4,8,11-tetrayl)tetraacetamide-kappa6N1,N4,N8,N11,O1,O8]copper(II) sulfate 4.5-hydrate. | Acta crystallographica. Section C, Crystal structure communications 20020201 |
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