1-pyrenemethylaminium | SBID = 2045 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C17H14N+ | ||
| M / g/mol: | 232.29976 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: 1-pyrenemethylaminium
- Preferred Abbreviation: PMA
- IUPAC Name:
- CAS:
- CID: -876
- InChiKey: TZNXEWGKCWPLQI-UHFFFAOYSA-O
- InChi: InChI=1S/C17H13N/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9H,10,18H2/p+1
- CanoSmiles: [NH3+]Cc1ccc2c3c1ccc1c3c(cc2)ccc1
- IsoSmiles: [NH3+]CC(C=C1)=C2C3=C1C=CC4=C3C(C=C2)=CC=C4
