Home Amines 102650-29-3
102650-29-3,MFCD20922757
Catalog No.:AA0007YO
102650-29-3 | Glycine, N-[(2S)-3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-N-[2-[bis(carboxymethyl)amino]ethyl]-
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Technical Information
Catalog Number:
AA0007YO
Chemical Name:
Glycine, N-[(2S)-3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-N-[2-[bis(carboxymethyl)amino]ethyl]-
CAS Number:
102650-29-3
Molecular Formula:
C21H30N4O10
Molecular Weight:
498.4837
MDL Number:
MFCD20922757
IUPAC Name:
2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
InChI:
InChI=1S/C21H30N4O10/c22-15-3-1-14(2-4-15)7-16(25(12-20(32)33)13-21(34)35)8-23(9-17(26)27)5-6-24(10-18(28)29)11-19(30)31/h1-4,16H,5-13,22H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)
InChI Key:
FEZWPBDUNJUSES-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C[C@@H](N(CC(=O)O)CC(=O)O)Cc1ccc(cc1)N)CCN(CC(=O)O)CC(=O)O
Properties
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 
Literature

Title: Micelles based on biodegradable poly(L-glutamic acid)-b-polylactide with paramagnetic Gd ions chelated to the shell layer as a potential nanoscale MRI-visible delivery system.

Journal: Biomacromolecules 20080101

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