1,2-Diamino-4,5-dimethylbenzene
AlkaPlorer ID: AK226527
Synonym: 4,5-Dimethyl-1,2-benzenediamine, 4,5-Dimethyl-o-phenylenediamine, 4,5-Diamino-o-xylene
IUPAC Name: 4,5-dimethylbenzene-1,2-diamine
Structure
SMILES: CC1=CC(N)=C(N)C=C1C
InChI: InChI=1S/C8H12N2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,9-10H2,1-2H3
InChIKey: XSZYBMMYQCYIPC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus nidulans | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 136.198
TPSA？: 52.04
MolLogP？: 1.46784
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2-CD81 | HEPG2TOX ASSAY - CC50 | 0.577 | uM | 10.1126/science.aat9446 |
| Homo sapiens | HepG2-CD81 | HEPG2TOX ASSAY - CC90 | 0.577 | uM | 10.1126/science.aat9446 |
| Plasmodium berghei | Plasmodium berghei | LUCIFERASE EXPRESSION CONTROL - IC50 | 10.0 | uM | 10.1126/science.aat9446 |
| Plasmodium berghei | Plasmodium berghei | LUCIFERASE EXPRESSION CONTROL - IC90 | 10.0 | uM | 10.1126/science.aat9446 |
| Plasmodium berghei | Plasmodium berghei | LUCIFERASE INFECTION ASSAY - IC50 | 0.577 | uM | 10.1126/science.aat9446 |
| Plasmodium berghei | Plasmodium berghei | LUCIFERASE INFECTION ASSAY - IC90 | 6.18 | uM | 10.1126/science.aat9446 |