1,4-phenylenedimethanamine dihydrochloride | SBID = 2597 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 52.0 | ||
| Ertl TPSA/Å2: | 52.04 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 1.56 | ||
| 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: | C8H14Cl2N2 | ||
| M / g/mol: | 209.11 | ||
| Complexity: | 73.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: 1,4-phenylenedimethanamine dihydrochloride
- Preferred Abbreviation: 1,4-Phenylenedimethanamine dihydrochloride
- IUPAC Name: [4-(aminomethyl)phenyl]methanamine;dihydrochloride
- CAS:
- CID: 68534614
- InChiKey: MMRSJZODOAQOTM-UHFFFAOYSA-N
- InChi: InChI=1S/C8H12N2.2ClH/c9-5-7-1-2-8(6-10)4-3-7;;/h1-4H,5-6,9-10H2;2*1H
- CanoSmiles: C1=CC(=CC=C1CN)CN.Cl.Cl
- IsoSmiles: C1=CC(=CC=C1CN)CN.Cl.Cl
