1037794-22-1

Name H-Cit-PABA
CAS 1037794-22-1
Molecular Formula C13H20N4O3
Molecular Weight 280.32
MOL File 1037794-22-1.mol
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Chemical Properties

Boiling point  582.7±50.0 °C(Predicted)
density  1.297±0.06 g/cm3(Predicted)
pka 13.86±0.70(Predicted)
InChI InChI=1S/C13H20N4O3/c14-11(2-1-7-16-13(15)20)12(19)17-10-5-3-9(8-18)4-6-10/h3-6,11,18H,1-2,7-8,14H2,(H,17,19)(H3,15,16,20)/t11-/m0/s1
InChIKey KJJITHAVZJBOHG-NSHDSACASA-N
SMILES C(NC1=CC=C(CO)C=C1)(=O)[C@@H](N)CCCNC(N)=O

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