1,3-Propandiamine (fully protonated) | SBID = 688 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 2.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C3H12N2++ | ||
| M / g/mol: | 76.14078 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: cation, typical guest, charged
- Name: 1,3-Propandiamine (fully protonated)
- Preferred Abbreviation: 1,3-Propandiammonium
- IUPAC Name: Propane-1,3-diamine
- CAS: 109-76-2
- CID: -191
- InChiKey: XFNJVJPLKCPIBV-UHFFFAOYSA-P
- InChi: InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2/p+2
- CanoSmiles: [NH3+]CCC[NH3+]
- IsoSmiles: [NH3+]CCC[NH3+]
