(1r,4r)-cyclohexane-1,4-diamine dihydrochloride | SBID = 2596 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 52.0 | ||
| Ertl TPSA/Å2: | 52.04 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 1.28 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| 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: | |||
| Sum Formula: | C6H16Cl2N2 | ||
| M / g/mol: | 187.11 | ||
| Complexity: | 54.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: (1r,4r)-cyclohexane-1,4-diamine dihydrochloride
- Preferred Abbreviation: cyclohexane diamine dihydrochloride
- IUPAC Name: cyclohexane-1,4-diamine;dihydrochloride
- CAS:
- CID: 67930328
- InChiKey: LSWJXVMHLYPGPM-UHFFFAOYSA-N
- InChi: InChI=1S/C6H14N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h5-6H,1-4,7-8H2;2*1H
- CanoSmiles: C1CC(CCC1N)N.Cl.Cl
- IsoSmiles: C1CC(CCC1N)N.Cl.Cl
