Identification Chemical Properties Hazard Information Supplier

174155-69-2

Name 1,4-Butanediol, 2-[2-(2-amino-9H-purin-9-yl)ethyl]-, 1,4-diacetate
CAS 174155-69-2
Molecular Formula C15H21N5O4
Molecular Weight 335.36
MOL File 174155-69-2.mol
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Chemical Properties

Boiling point  558.3±60.0 °C(Predicted)
density  1.37±0.1 g/cm3(Predicted)
pka 4.02±0.10(Predicted)
InChI InChI=1S/C15H21N5O4/c1-10(21)23-6-4-12(8-24-11(2)22)3-5-20-9-18-13-7-17-15(16)19-14(13)20/h7,9,12H,3-6,8H2,1-2H3,(H2,16,17,19)
InChIKey GRFSOURMIJLBFL-UHFFFAOYSA-N
SMILES C(OC(=O)C)C(CCN1C2C(N=C1)=CN=C(N)N=2)CCOC(=O)C

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