4-(diethylamino)benzonitrile | SBID = 2099 | Compound |
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | 27.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.9 | ||
| 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: | 148.7 | ||
| Sum Formula: | C11H14N2 | ||
| M / g/mol: | 174.24 | ||
| Complexity: | 180.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags: typical guest
- Name: 4-(diethylamino)benzonitrile
- Preferred Abbreviation: 4-DEABN
- IUPAC Name: 4-(diethylamino)benzonitrile
- CAS: 2873-90-7
- CID: 76134
- InChiKey: KMLGFOAKCYHXCQ-UHFFFAOYSA-N
- InChi: InChI=1S/C11H14N2/c1-3-13(4-2)11-7-5-10(9-12)6-8-11/h5-8H,3-4H2,1-2H3
- CanoSmiles: CCN(CC)C1=CC=C(C=C1)C#N
- IsoSmiles: CCN(CC)C1=CC=C(C=C1)C#N
