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13594-51-9

Name H-D-CIT-OH
CAS 13594-51-9
EINECS(EC#) 211-012-2
Molecular Formula C6H13N3O3
MDL Number MFCD00216469
Molecular Weight 175.19
MOL File 13594-51-9.mol
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Chemical Properties

Appearance White powder
Melting point  220-221°C
Boiling point  386.7±42.0 °C(Predicted)
density  1.289±0.06 g/cm3(Predicted)
storage temp.  −20°C
pka 2.51±0.24(Predicted)
optical activity [α]20/D 20.5±2.0°, c = 2% in 1 M HCl
Detection Methods Rotation
BRN  1725415
InChI InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m1/s1
InChIKey RHGKLRLOHDJJDR-SCSAIBSYSA-N
SMILES C(O)(=O)[C@@H](CCCNC(N)=O)N
CAS DataBase Reference 13594-51-9(CAS DataBase Reference)

Safety Data

WGK Germany  3

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