1,12-Diaminododecane | SBID = 932 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 52.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.0 | ||
| 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: | 178.7 | ||
| Sum Formula: | C12H28N2 | ||
| M / g/mol: | 200.36 | ||
| Complexity: | 82.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 1,12-Diaminododecane
- Preferred Abbreviation: 1,12-Diaminododecane
- IUPAC Name: dodecane-1,12-diamine
- CAS: 2783-17-7
- CID: 17727
- InChiKey: QFTYSVGGYOXFRQ-UHFFFAOYSA-N
- InChi: InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2
- CanoSmiles: C(CCCCCCN)CCCCCN
- IsoSmiles: C(CCCCCCN)CCCCCN
