6-Azaniumylhexylazanium | SBID = 505 | Compound |
Structure
Molecular Properties
| Interactions: | 7 | ||
| PubChem TPSA/Å2: | 55.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.2 | ||
| 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): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 101.0 | ||
| Sum Formula: | C6H18N2+2 | ||
| M / g/mol: | 118.22 | ||
| Complexity: | 31.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: charged, cation, typical guest
- Name: 6-Azaniumylhexylazanium
- Preferred Abbreviation: 1,6-Hexandiammonium
- IUPAC Name: 6-azaniumylhexylazanium
- CAS:
- CID: 1549137
- InChiKey: NAQMVNRVTILPCV-UHFFFAOYSA-P
- InChi: InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2/p+2
- CanoSmiles: C(CCC[NH3+])CC[NH3+]
- IsoSmiles: C(CCC[NH3+])CC[NH3+]
