3-aminopropanenitrile | SBID = 2531 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 49.8 | ||
| Ertl TPSA/Å2: | 49.81 | ||
| Hydrophilicity (PubChem XLogP): | -1.0 | ||
| Hydrophilicity (Cheng XLogP3): | -1.02 | ||
| 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: | 60.3 | ||
| Sum Formula: | C3H6N2 | ||
| M / g/mol: | 70.09 | ||
| Complexity: | 49.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags:
- Name: 3-aminopropanenitrile
- Preferred Abbreviation: 3-aminopropionitrile
- IUPAC Name: 3-aminopropanenitrile
- CAS:
- CID: 1647
- InChiKey: AGSPXMVUFBBBMO-UHFFFAOYSA-N
- InChi: InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
- CanoSmiles: C(CN)C#N
- IsoSmiles: C(CN)C#N
