2-Amino-1-(4-nitrophenyl)-1,3-propanediol hydrochloride | SBID = 745 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 112.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| Number of H-Bond Acceptors: | 5.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C9H13ClN2O4 | ||
| M / g/mol: | 248.66 | ||
| Complexity: | 211.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: uncharged, typical guest
- Name: 2-Amino-1-(4-nitrophenyl)-1,3-propanediol hydrochloride
- Preferred Abbreviation: 2-Amino-1-(4-nitrophenyl)-1,3-propanediol hydrochloride
- IUPAC Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol;hydrochloride
- CAS: 19534-26-0
- CID: 12241104
- InChiKey: SUYYUQAZZGDCPV-UHFFFAOYSA-N
- InChi: InChI=1S/C9H12N2O4.ClH/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15;/h1-4,8-9,12-13H,5,10H2;1H
- CanoSmiles: C1=CC(=CC=C1C(C(CO)N)O)[N+](=O)[O-].Cl
- IsoSmiles: C1=CC(=CC=C1C(C(CO)N)O)[N+](=O)[O-].Cl
