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Phenylephrine Impurity 16

CAT: 1299-RM-P141216-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P141216-04Size:100 mg
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CAS Number
2292095-11-3
Synonyms
(R) -2-methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol
Molecular Formula
C10H13NO2
Molecular Weight
179.22
Target Alternative Name
Phenylephrine
Product Name Synonym
(R) -2-methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol

Chemical Information

Phenylephrine impurity 16
CAS Number2292095-11-3
PubChem CID92859086
IUPAC Name(4R)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol
Molecular FormulaC10H13NO2
Molecular Weight179.22
XLogP0.3
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity186
SMILES
CN1C[C@@H](C2=C(C1)C=CC(=C2)O)O
InChI
InChI=1S/C10H13NO2/c1-11-5-7-2-3-8(12)4-9(7)10(13)6-11/h2-4,10,12-13H,5-6H2,1H3/t10-/m0/s1
InChIKey
GXNCQQCQUUCKLX-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Phenylephrine impurity 16
CAS: 2292095-11-3
CID: 92859086
Formula: C10H13NO2
MW: 179.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.22
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass179.094628657
Monoisotopic Mass179.094628657
Topological Polar Surface Area43.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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