4-(Aminomethyl)pyridine | SBID = 564 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 38.9 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| 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: | 88.1 | ||
| Sum Formula: | C6H8N2 | ||
| M / g/mol: | 108.14 | ||
| Complexity: | 57.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 4-(Aminomethyl)pyridine
- Preferred Abbreviation: Pyridin-4-ylmethanamine
- IUPAC Name: pyridin-4-ylmethanamine
- CAS: 3731-53-1
- CID: 77317
- InChiKey: TXQWFIVRZNOPCK-UHFFFAOYSA-N
- InChi: InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2
- CanoSmiles: C1=CN=CC=C1CN
- IsoSmiles: C1=CN=CC=C1CN
