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114873-37-9

114873-37-9 | 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid

CAS No: 114873-37-9 Catalog No: AG000FDN MDL No:

Product Description

Catalog Number:
AG000FDN
Chemical Name:
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid
CAS Number:
114873-37-9
Molecular Formula:
C14H26N4O6
Molecular Weight:
346.3794
IUPAC Name:
2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
InChI:
InChI=1S/C14H26N4O6/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24/h15H,1-11H2,(H,19,20)(H,21,22)(H,23,24)
InChI Key:
HHLZCENAOIROSL-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCN(CCNCCN(CC1)CC(=O)O)CC(=O)O

Properties

Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.185g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
346.384g/mol
Monoisotopic Mass:
346.185g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-8.4  

Literature

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