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Phenylephrine Impurity 84

CAT: 1299-RM-P141284-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P141284-01Size:10 mg
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CAS Number
29211-18-5
Synonyms
1- (3-aminophenyl) -2- (methylamino) ethan-1-ol
Molecular Formula
C9H14N2O
Molecular Weight
166.22
Target Alternative Name
Phenylephrine
Product Name Synonym
1- (3-aminophenyl) -2- (methylamino) ethan-1-ol

Chemical Information

1-(m-Aminophenyl)-2-methylaminoethanol
CAS Number29211-18-5
PubChem CID3027617
IUPAC Name1-(3-aminophenyl)-2-(methylamino)ethanol
Molecular FormulaC9H14N2O
Molecular Weight166.22
XLogP-0.6
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity130
SMILES
CNCC(C1=CC(=CC=C1)N)O
InChI
InChI=1S/C9H14N2O/c1-11-6-9(12)7-3-2-4-8(10)5-7/h2-5,9,11-12H,6,10H2,1H3
InChIKey
LCZMBFWIEJUUBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(m-Aminophenyl)-2-methylaminoethanol
CAS: 29211-18-5
CID: 3027617
Formula: C9H14N2O
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.110613074
Monoisotopic Mass166.110613074
Topological Polar Surface Area58.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity130
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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