1,11-Diaminoundecane | SBID = 587 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 52.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.5 | ||
| 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: | 166.4 | ||
| Sum Formula: | C11H26N2 | ||
| M / g/mol: | 186.34 | ||
| Complexity: | 74.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 1,11-Diaminoundecane
- Preferred Abbreviation: 1,11-Diaminoundecane
- IUPAC Name: undecane-1,11-diamine
- CAS: 822-08-2
- CID: 69966
- InChiKey: KLNPWTHGTVSSEU-UHFFFAOYSA-N
- InChi: InChI=1S/C11H26N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-13H2
- CanoSmiles: C(CCCCCN)CCCCCN
- IsoSmiles: C(CCCCCN)CCCCCN
