4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid
- Product Name4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid
- CAS137281-39-1
- CBNumberCB11012504
- MFC15H14N4O3
- MW298.3
- EINECS429-790-9
- MDL NumberMFCD09833742
- MOL File137281-39-1.mol
Chemical Properties
Melting point | >270°C (dec.) |
Density | 1.55±0.1 g/cm3(Predicted) |
storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
solubility | DMSO (Slightly), Methanol (Slightly, Heated) |
form | Solid |
pka | 4.30±0.10(Predicted) |
color | White to Pale Pink |
InChI | InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)10(7-17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20) |
InChIKey | AIZPFZIKHIJCQX-UHFFFAOYSA-N |
SMILES | C(O)(=O)C1=CC=C(CCC2C3C(=O)NC(N)=NC=3NC=2)C=C1 |
CAS DataBase Reference | 137281-39-1(CAS DataBase Reference) |
FDA UNII | JBZ211669I |
Safety
Symbol(GHS) | |
Signal word | Warning |
Hazard statements | H315-H319 |
Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
Risk Statements | 36/37/38 |
Safety Statements | 26-36/37/39 |
HS Code | 29335990 |