Computed Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.196g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
498.489g/mol
Monoisotopic Mass:
498.196g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.2
Synonyms
2-(4-aminobenzyl)diethylenetriaminepentaacetic acid
p-NH2-Bn-DTPA
2-(4-Aminobenzyl)-1,4,7-triazaheptane-1,1,4,7,7-pentaacetic acid
2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
2-{[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl] ({2-[bis(carboxymethyl)amino]ethyl})amino}acetic acid
2-{[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]({2-[bis(carboxymethyl)amino]ethyl})amino}acetic acid
CID131596
CID 131596
102650-29-3
p-NH2-Bn-DTPA
AC1L2ZGV
(p-NH2-Bn)-DTPA
SCHEMBL189879
CHEMBL419097
FEZWPBDUNJUSES-UHFFFAOYSA-N
FC-2102