1,7-Heptanediammonium | SBID = 691 | 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: | C7H20N2++ | ||
| M / g/mol: | 132.2471 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: charged
- Name: 1,7-Heptanediammonium
- Preferred Abbreviation: 1,7-Heptanediammonium
- IUPAC Name: heptane-1,7-diamine
- CAS: 646-19-5
- CID: -194
- InChiKey: PWSKHLMYTZNYKO-UHFFFAOYSA-P
- InChi: InChI=1S/C7H18N2/c8-6-4-2-1-3-5-7-9/h1-9H2/p+2
- CanoSmiles: [NH3+]CCCCCCC[NH3+]
- IsoSmiles: [NH3+]CCCCCCC[NH3+]
