3,4-Dihydroxybenzylamine hydrochloride | SBID = 282 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 66.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C7H10ClNO2 | ||
| M / g/mol: | 175.612 | ||
| Complexity: | 108.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: 3,4-Dihydroxybenzylamine hydrochloride
- Preferred Abbreviation: 3,4-Dihydroxybenzylamine hydrochloride
- IUPAC Name: 4-(aminomethyl)benzene-1,2-diol;hydrochloride
- CAS: 1124-40-9
- CID: 13343563
- InChiKey: LFRARYNEDYNCOT-UHFFFAOYSA-N
- InChi: InChI=1S/C7H9NO2.ClH/c8-4-5-1-2-6(9)7(10)3-5;/h1-3,9-10H,4,8H2;1H
- CanoSmiles: C1=CC(=C(C=C1CN)O)O.Cl
- IsoSmiles: C1=CC(=C(C=C1CN)O)O.Cl
