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114873-52-8 | 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 1,4,7-triethyl ester
CAS No: 114873-52-8 Catalog No: AG000FDM MDL No:MFCD09263320
Product Description
Catalog Number:
AG000FDM
Chemical Name:
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 1,4,7-triethyl ester
CAS Number:
114873-52-8
Molecular Formula:
C20H38N4O6
Molecular Weight:
430.5389
MDL Number:
MFCD09263320
IUPAC Name:
ethyl 2-[4,7-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
InChI:
InChI=1S/C20H38N4O6/c1-4-28-18(25)15-22-9-7-21-8-10-23(16-19(26)29-5-2)12-14-24(13-11-22)17-20(27)30-6-3/h21H,4-17H2,1-3H3
InChI Key:
BPEUICGMDOXPJJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1CCN(CCNCCN(CC1)CC(=O)OCC)CC(=O)OCC
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.279g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.546g/mol
Monoisotopic Mass:
430.279g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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