4-Methylbenzylamine | SBID = 946 | Compound |
Structure
Molecular Properties
| Interactions: | 10 | ||
| PubChem TPSA/Å2: | 26.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.3 | ||
| 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: | 104.6 | ||
| Sum Formula: | C8H11N | ||
| M / g/mol: | 121.18 | ||
| Complexity: | 72.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 4-Methylbenzylamine
- Preferred Abbreviation: 4-Methylbenzylamine
- IUPAC Name: (4-methylphenyl)methanamine
- CAS: 104-84-7
- CID: 66035
- InChiKey: HMTSWYPNXFHGEP-UHFFFAOYSA-N
- InChi: InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3
- CanoSmiles: CC1=CC=C(C=C1)CN
- IsoSmiles: CC1=CC=C(C=C1)CN
