p-Phenylenediamine | SBID = 565 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 52.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.3 | ||
| 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): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 88.5 | ||
| Sum Formula: | C6H8N2 | ||
| M / g/mol: | 108.14 | ||
| Complexity: | 54.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: p-Phenylenediamine
- Preferred Abbreviation: 1,4-Phenylenediamine
- IUPAC Name: benzene-1,4-diamine
- CAS: 106-50-3
- CID: 7814
- InChiKey: CBCKQZAAMUWICA-UHFFFAOYSA-N
- InChi: InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
- CanoSmiles: C1=CC(=CC=C1N)N
- IsoSmiles: C1=CC(=CC=C1N)N
