Home Other Building Blocks p-NH2-Bn-NOTA(B-601)

p-NH2-Bn-NOTA(B-601)

CAS No.:
142131-37-1
Catalog Number:
AG00A9O2
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00A9O2
Chemical Name:
p-NH2-Bn-NOTA(B-601)
CAS Number:
142131-37-1
IUPAC Name:
2-[(5S)-5-[(4-aminophenyl)methyl]-4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
InChI:
InChI=1S/C19H28N4O6/c20-15-3-1-14(2-4-15)9-16-10-22(12-18(26)27)6-5-21(11-17(24)25)7-8-23(16)13-19(28)29/h1-4,16H,5-13,20H2,(H,24,25)(H,26,27)(H,28,29)/t16-/m0/s1
InChI Key:
ASIIOGDNZILDQE-INIZCTEOSA-N
UNII:
A652F51BH0
Properties
Complexity:
567  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
408.201g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
408.455g/mol
Monoisotopic Mass:
408.201g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.6  
Properties