1,2-Phenylenediamine | SBID = 476 | Compound |
Structure
Molecular Properties
| Interactions: | 13 | ||
| PubChem TPSA/Å2: | 52.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.1 | ||
| 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: | 88.8 | ||
| Sum Formula: | C6H8N2 | ||
| M / g/mol: | 108.14 | ||
| Complexity: | 62.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 1,2-Phenylenediamine
- Preferred Abbreviation: 1,2-Phenylenediamine
- IUPAC Name: benzene-1,2-diamine
- CAS: 95-54-5
- CID: 7243
- InChiKey: GEYOCULIXLDCMW-UHFFFAOYSA-N
- InChi: InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
- CanoSmiles: C1=CC=C(C(=C1)N)N
- IsoSmiles: C1=CC=C(C(=C1)N)N
