propane-1,3-diaminium chloride | SBID = 1495 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 9 | ||
| 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: | C3H12Cl2N2 | ||
| M / g/mol: | 147.04678 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest, charged
- Name: propane-1,3-diaminium chloride
- Preferred Abbreviation: propane-1,3-diaminium chloride
- IUPAC Name:
- CAS:
- CID: -572
- InChiKey: HYOCSVGEQMCOGE-UHFFFAOYSA-N
- InChi: InChI=1S/C3H10N2.2ClH/c4-2-1-3-5;;/h1-5H2;2*1H
- CanoSmiles: [NH3+]CCC[NH3+].[Cl-].[Cl-]
- IsoSmiles: [NH3+]CCC[NH3+].[Cl-].[Cl-]
