4-Methylaniline | SBID = 290 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 26.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 92.8 | ||
| Sum Formula: | C7H9N | ||
| M / g/mol: | 107.156 | ||
| Complexity: | 62.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 4-Methylaniline
- Preferred Abbreviation: p-Toluidine
- IUPAC Name: 4-methylaniline
- CAS: 106-49-0
- CID: 7813
- InChiKey: RZXMPPFPUUCRFN-UHFFFAOYSA-N
- InChi: InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
- CanoSmiles: CC1=CC=C(C=C1)N
- IsoSmiles: CC1=CC=C(C=C1)N
