1,4-Butanediol, 2-[2-(2-amino-9H-purin-9-yl)ethyl]-, 1,4-diacetate
- Product Name1,4-Butanediol, 2-[2-(2-amino-9H-purin-9-yl)ethyl]-, 1,4-diacetate
- CAS174155-69-2
- CBNumberCB09757648
- MFC15H21N5O4
- MW335.36
- MOL File174155-69-2.mol
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 |