1,3-phenylenedimethanaminium chloride | SBID = 1882 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C8H14Cl2N2 | ||
| M / g/mol: | 209.11616 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: uncharged, aromatic
- Name: 1,3-phenylenedimethanaminium chloride
- Preferred Abbreviation: 1,3-phenylenedimethanaminium chloride
- IUPAC Name:
- CAS: 51964-30-8
- CID: -794
- InChiKey: TZQKBVRYFWPVEQ-UHFFFAOYSA-N
- InChi: InChI=1S/C8H12N2.2ClH/c9-5-7-2-1-3-8(4-7)6-10;;/h1-4H,5-6,9-10H2;2*1H
- CanoSmiles: [NH3+]Cc1cccc(c1)C[NH3+].[Cl-].[Cl-]
- IsoSmiles: [NH3+]CC1=CC=CC(C[NH3+])=C1.[Cl-].[Cl-]
