4-(dimethylamino)benzonitrile | SBID = 440 | Compound |
Structure
Molecular Properties
| Interactions: | 9 | ||
| PubChem TPSA/Å2: | 27.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| 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: | 124.3 | ||
| Sum Formula: | C9H10N2 | ||
| M / g/mol: | 146.193 | ||
| Complexity: | 158.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 4-(dimethylamino)benzonitrile
- Preferred Abbreviation: 4-DMABN
- IUPAC Name: 4-(dimethylamino)benzonitrile
- CAS: 1197-19-9
- CID: 70967
- InChiKey: JYMNQRQQBJIMCV-UHFFFAOYSA-N
- InChi: InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
- CanoSmiles: CN(C)C1=CC=C(C=C1)C#N
- IsoSmiles: CN(C)C1=CC=C(C=C1)C#N
