N1,N1'-(hexane-1,6-diyl)bis(ethane-1,2-diaminium) | SBID = 509 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 4.0 | ||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C10H30N4++++ | ||
| M / g/mol: | 206.38 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: cation, typical guest, charged
- Name: N1,N1'-(hexane-1,6-diyl)bis(ethane-1,2-diaminium)
- Preferred Abbreviation: bis(aminoethyl)-1,6-hexane-diammonium
- IUPAC Name: N1,N1'-(hexane-1,6-diyl)bis(ethane-1,2-diaminium)
- CAS:
- CID: -107
- InChiKey: DYUCNAMTUNGLAB-UHFFFAOYSA-R
- InChi: InChI=1S/C10H26N4/c11-5-9-13-7-3-1-2-4-8-14-10-6-12/h13-14H,1-12H2/p+4
- CanoSmiles: [NH3+]CC[NH2+]CCCCCC[NH2+]CC[NH3+]
- IsoSmiles: [NH3+]CC[NH2+]CCCCCC[NH2+]CC[NH3+]
