m-Phenylenediamine | SBID = 286 | Compound |
Structure
Molecular Properties
| Interactions: | 7 | ||
| 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: | 89.0 | ||
| Sum Formula: | C6H8N2 | ||
| M / g/mol: | 108.144 | ||
| Complexity: | 64.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: m-Phenylenediamine
- Preferred Abbreviation: 1,3-Phenylenediamine
- IUPAC Name: benzene-1,3-diamine
- CAS: 108-45-2
- CID: 7935
- InChiKey: WZCQRUWWHSTZEM-UHFFFAOYSA-N
- InChi: InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2
- CanoSmiles: C1=CC(=CC(=C1)N)N
- IsoSmiles: C1=CC(=CC(=C1)N)N
