propane-1,3-diamine | SBID = 2334 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 52.0 | ||
| Ertl TPSA/Å2: | 52.04 | ||
| Hydrophilicity (PubChem XLogP): | -1.4 | ||
| Hydrophilicity (Cheng XLogP3): | -1.43 | ||
| 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: | 62.1 | ||
| Sum Formula: | C3H10N2 | ||
| M / g/mol: | 74.13 | ||
| Complexity: | 12.0 | ||
| Number of Conformers: | 6.0 |
Identifiers
- Tags:
- Name: propane-1,3-diamine
- Preferred Abbreviation: 1,3-diaminopropane
- IUPAC Name: propane-1,3-diamine
- CAS:
- CID: 428
- InChiKey: XFNJVJPLKCPIBV-UHFFFAOYSA-N
- InChi: InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
- CanoSmiles: C(CN)CN
- IsoSmiles: C(CN)CN
