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Phenylephrine Impurity 30

CAT: 1299-RM-P141230-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P141230-01Size:10 mg
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CAS Number
1159977-09-9
Synonyms
3- (2- (benzyl (methyl) amino) -1-hydroxyethyl) phenol
Molecular Formula
C16H19NO2
Molecular Weight
257.33
Target Alternative Name
Phenylephrine
Product Name Synonym
3- (2- (benzyl (methyl) amino) -1-hydroxyethyl) phenol

Chemical Information

3-[2-[Benzyl(methyl)amino]-1-hydroxyethyl]phenol
CAS Number1159977-09-9
PubChem CID21259576
IUPAC Name3-[2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol
Molecular FormulaC16H19NO2
Molecular Weight257.33
XLogP2.2
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity253
SMILES
CN(CC1=CC=CC=C1)CC(C2=CC(=CC=C2)O)O
InChI
InChI=1S/C16H19NO2/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14/h2-10,16,18-19H,11-12H2,1H3
InChIKey
JBBZPOHBHNEKIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[2-[Benzyl(methyl)amino]-1-hydroxyethyl]phenol
CAS: 1159977-09-9
CID: 21259576
Formula: C16H19NO2
MW: 257.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.33
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass257.141578849
Monoisotopic Mass257.141578849
Topological Polar Surface Area43.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity253
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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