Synephrine

Synephrine

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Catalog Number ACM94075
CAS Number 94-07-5
Structure
Synonyms 4-Hydroxy-alpha-(methylaminomethyl)benzyl alcohol
IUPAC Name 4-[1-Hydroxy-2-(methylamino)ethyl]phenol
Molecular Weight 167.21
Molecular Formula C9H13NO2
Canonical SMILES CNCC(C1=CC=C(C=C1)O)O
InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3
InChI Key YRCWQPVGYLYSOX-UHFFFAOYSA-N
Boiling Point 295.79 °C
Melting Point 187 °C(lit.)
Flash Point 163.4 °C
Purity 98%
Density 1.1222 g/cm³
Appearance Solid
Storage 2-8 °C
Complexity 122
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
Exact Mass 167.094628657
Heavy Atom Count 12
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
Monoisotopic Mass 167.094628657
PhysicalState Solid
Rotatable Bond Count 3
Topological Polar Surface Area 52.5 Ų

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