1,8-Diaminooctane | SBID = 584 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 52.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 127.0 | ||
| Sum Formula: | C8H20N2 | ||
| M / g/mol: | 144.26 | ||
| Complexity: | 47.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: 1,8-Diaminooctane
- Preferred Abbreviation: 1,8-Diaminooctane
- IUPAC Name: octane-1,8-diamine
- CAS: 373-44-4
- CID: 24250
- InChiKey: PWGJDPKCLMLPJW-UHFFFAOYSA-N
- InChi: InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
- CanoSmiles: C(CCCCN)CCCN
- IsoSmiles: C(CCCCN)CCCN
