1. Primary Information
| English name: | Phenylephrine Hydrochloride |
| CAS No.: | 61-76-7 |
| Molecular formula: | C9H13NO2.ClH |
| Molecular weight: | 203.66 g/mol |
| SMILES: | CNCC(C1=CC(=CC=C1)O)O.Cl |
| Structural class: | |
| Other identifiers: |
(R)-3-Hydroxy-alpha-((methylamino)methyl)benzenemethanol Metaoxedrin Metasympatol Mezaton Neo Synephrine |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 384 | RT | in stock | - |
| Kehua Intelligence | 5g | BR，98% | 64 | RT | in stock | - |
| Kehua Intelligence | 25g | BR，98% | 152 | RT | in stock | - |
| Kehua Intelligence | 100g | BR，98% | 592 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
4.2 InChI
InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m0./s1
4.3 InChIKey
OCYSGIYOVXAGKQ-FVGYRXGTSA-N
4.4 Canonical SMILES
CNCC(C1=CC(=CC=C1)O)O.Cl
4.5 Isomeric SMILES
CNC[C@@H](C1=CC(=CC=C1)O)O.Cl
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
