2-[[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoic acid ethyl ester
- Product Name2-[[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoic acid ethyl ester
- CAS136285-67-1
- MFC23H19N3O4
- MW401.41
- EINECS603-952-0
- MOL File136285-67-1.mol
Chemical Properties
| Melting point | >209°C (dec.) |
| Boiling point | 602.9±55.0 °C(Predicted) |
| Density | 1.31 |
| storage temp. | Refrigerator |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | -2.57±0.10(Predicted) |
| form | Solid |
| color | Yellow |
| InChI | InChI=1S/C23H19N3O4/c1-2-30-23(27)20-8-5-9-21(26(28)29)22(20)25-15-16-10-12-17(13-11-16)19-7-4-3-6-18(19)14-24/h3-13,25H,2,15H2,1H3 |
| InChIKey | CHPMKOFPDCKNBG-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C1=CC=CC([N+]([O-])=O)=C1NCC1=CC=C(C2=CC=CC=C2C#N)C=C1 |