1,4-diaminobenzene | SBID = 1881 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C6H8N2 | ||
| M / g/mol: | 108.14112 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic
- Name: 1,4-diaminobenzene
- Preferred Abbreviation: 1,4-diaminobenzene
- IUPAC Name:
- CAS: 106-50-3
- CID: -793
- InChiKey: CBCKQZAAMUWICA-UHFFFAOYSA-N
- InChi: InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
- CanoSmiles: Nc1ccc(cc1)N
- IsoSmiles: NC1=CC=C(N)C=C1
