butane-1,4-diamine;dihydrochloride | SBID = 2133 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 52.0 | ||
| Ertl TPSA/Å2: | 52.04 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 0.9 | ||
| 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: | C4H14Cl2N2 | ||
| M / g/mol: | 161.07 | ||
| Complexity: | 17.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: butane-1,4-diamine;dihydrochloride
- Preferred Abbreviation: 1,4-Diaminobutane dihydrochloride
- IUPAC Name: butane-1,4-diamine;dihydrochloride
- CAS:
- CID: 9532
- InChiKey: XXWCODXIQWIHQN-UHFFFAOYSA-N
- InChi: InChI=1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H
- CanoSmiles: C(CCN)CN.Cl.Cl
- IsoSmiles: C(CCN)CN.Cl.Cl
