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220554-75-6 | 1,4,8-Tris(aminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane monohydriodide
CAS No: 220554-75-6 Catalog No: AG003DM8 MDL No:
Product Description
Catalog Number:
AG003DM8
Chemical Name:
1,4,8-Tris(aminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane monohydriodide
CAS Number:
220554-75-6
IUPAC Name:
2-[4,8-bis(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide;hydroiodide
InChI:
InChI=1S/C16H33N7O3.HI/c17-14(24)11-21-6-2-7-23(13-16(19)26)10-9-22(12-15(18)25)5-1-3-20-4-8-21;/h20H,1-13H2,(H2,17,24)(H2,18,25)(H2,19,26);1H
InChI Key:
JSJFTBJBERXHTP-UHFFFAOYSA-N
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.177g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
499.398g/mol
Monoisotopic Mass:
499.177g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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