benzyl(tripropyl)azanium | SBID = 2652 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | 0.0 | ||
| Hydrophilicity (PubChem XLogP): | 4.5 | ||
| Hydrophilicity (Cheng XLogP3): | 4.46 | ||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| 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: | 206.4 | ||
| Sum Formula: | C16H28N+ | ||
| M / g/mol: | 234.4 | ||
| Complexity: | 165.0 | ||
| Number of Conformers: | 9.0 |
Identifiers
- Tags: typical guest
- Name: benzyl(tripropyl)azanium
- Preferred Abbreviation: Benzenemethanaminium, N,N,N-tripropyl-
- IUPAC Name: benzyl(tripropyl)azanium
- CAS:
- CID: 406963
- InChiKey: BCCDCNCWUHICFM-UHFFFAOYSA-N
- InChi: InChI=1S/C16H28N/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16/h7-11H,4-6,12-15H2,1-3H3/q+1
- CanoSmiles: CCC[N+](CCC)(CCC)CC1=CC=CC=C1
- IsoSmiles: CCC[N+](CCC)(CCC)CC1=CC=CC=C1
