m-tolylmethanaminium | SBID = 2519 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 27.6 | ||
| Ertl TPSA/Å2: | 35.0 | ||
| Hydrophilicity (PubChem XLogP): | 1.3 | ||
| Hydrophilicity (Cheng XLogP3): | 1.34 | ||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 105.1 | ||
| Sum Formula: | C8H12N+ | ||
| M / g/mol: | 122.19 | ||
| Complexity: | 80.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: typical guest
- Name: m-tolylmethanaminium
- Preferred Abbreviation: 3-Methylbenzylaminium
- IUPAC Name: (3-methylphenyl)methylazanium
- CAS:
- CID: 6999063
- InChiKey: RGXUCUWVGKLACF-UHFFFAOYSA-O
- InChi: InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3/p+1
- CanoSmiles: CC1=CC(=CC=C1)C[NH3+]
- IsoSmiles: CC1=CC(=CC=C1)C[NH3+]
