Phenylephrine

• CAS: 59-42-7
• Catalog Number: ACM59427
• Category: Other Products
• Molecular Weight: 167.21
• Molecular Formula: C9H13NO2
• Synonyms: Biomydrin
• IUPAC Name: 3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol
• Canonical SMILES: CNCC(C1=CC(=CC=C1)O)O
• InChI: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
• InChI Key: SONNWYBIRXJNDC-VIFPVBQESA-N
• Boiling Point: 295.79 °C
• Melting Point: 171 °C
• Flash Point: 163.4 °C
• Density: 1.1222 g/cm³
• Storage: -20 °C Freezer, under inert atmosphere
• Complexity: 130
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Exact Mass: 167.094628657
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 3
• Isomeric SMILES: CNC[C@@H](C1=CC(=CC=C1)O)O
• Monoisotopic Mass: 167.094628657
• Physical State: Solid
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 52.5 Ų