SOJ
Summary
Name: | ~{N}4-phenylbenzene-1,4-diamine |
Formula: | C12 H12 N2 |
Formal charge: | 0 |
Formula weight: | 184.237 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | ~{N}4-phenylbenzene-1,4-diamine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2 |
InChIKey | InChI | 1.03 | ATGUVEKSASEFFO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(Nc2ccccc2)cc1 |
SMILES | CACTVS | 3.385 | Nc1ccc(Nc2ccccc2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Nc2ccc(cc2)N |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Nc2ccc(cc2)N |