1,4-Diaminobutane | SBID = 581 | 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: | 75.1 | ||
| Sum Formula: | C4H12N2 | ||
| M / g/mol: | 88.15 | ||
| Complexity: | 17.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: 1,4-Diaminobutane
- Preferred Abbreviation: 1,4-Diaminobutane
- IUPAC Name: butane-1,4-diamine
- CAS: 110-60-1
- CID: 1045
- InChiKey: KIDHWZJUCRJVML-UHFFFAOYSA-N
- InChi: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
- CanoSmiles: C(CCN)CN
- IsoSmiles: C(CCN)CN
