Phenylephrine

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Catalog Number
ACM59427
Product Name
Phenylephrine
Structure
Structure
CAS
59-42-7
Category
Heterocyclic Organic Compound
Synonyms
Biomydrin
IUPAC Name
3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol
Molecular Weight
167.21
Molecular Formula
C9H13NO2
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
MSDS
Download MSDS
COA
Download COA
Spec Sheet
Download Spec Sheet
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