Dibenzylazanium | SBID = 750 | Compound |
Structure
Molecular Properties
| Interactions: | 9 | ||
| PubChem TPSA/Å2: | 16.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 171.1 | ||
| Sum Formula: | C14H16N+ | ||
| M / g/mol: | 198.28 | ||
| Complexity: | 137.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: Dibenzylazanium
- Preferred Abbreviation: Dibenzylazanium
- IUPAC Name: dibenzylazanium
- CAS:
- CID: 4457863
- InChiKey: BWLUMTFWVZZZND-UHFFFAOYSA-O
- InChi: InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2/p+1
- CanoSmiles: C1=CC=C(C=C1)C[NH2+]CC2=CC=CC=C2
- IsoSmiles: C1=CC=C(C=C1)C[NH2+]CC2=CC=CC=C2
