172529-93-0

Name [2-(2-Amino-6-chloro-9H-purin-9-yl)ethyl]propanedioic acid dimethyl ester
CAS 172529-93-0
EINECS(EC#) 1312995-182-4
Molecular Formula C12H14ClN5O4
MDL Number MFCD13194844
Molecular Weight 327.72
MOL File 172529-93-0.mol
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Chemical Properties

Melting point  115-116 °C
Boiling point  557.0±60.0 °C(Predicted)
density  1.59
pka 12.36±0.59(Predicted)
InChI InChI=1S/C12H14ClN5O4/c1-21-10(19)6(11(20)22-2)3-4-18-5-15-7-8(13)16-12(14)17-9(7)18/h5-6H,3-4H2,1-2H3,(H2,14,16,17)
InChIKey SALNWJHEVGXTER-UHFFFAOYSA-N
SMILES C(OC)(=O)C(CCN1C2C(N=C1)=C(Cl)N=C(N)N=2)C(OC)=O
CAS DataBase Reference 172529-93-0(CAS DataBase Reference)

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