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Norepinephrine Impurity 23

CAT: 1596-AR-N08945-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N08945-04Size:100 Units
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CAS Number
1528622-09-4
Synonyms
4- (1-Hydroxy-2- (methylamino) ethyl) benzene-1,3-diol
Molecular Formula
C9H13NO3
Molecular Weight
183.21
API Name
Norepinephrine

Chemical Information

4-[1-Hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
CAS Number1528622-09-4
PubChem CID82601625
IUPAC Name4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
Molecular FormulaC9H13NO3
Molecular Weight183.20
XLogP0.5
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity154
SMILES
CNCC(C1=C(C=C(C=C1)O)O)O
InChI
InChI=1S/C9H13NO3/c1-10-5-9(13)7-3-2-6(11)4-8(7)12/h2-4,9-13H,5H2,1H3
InChIKey
ZQBOTZYOFYEMOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[1-Hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
CAS: 1528622-09-4
CID: 82601625
Formula: C9H13NO3
MW: 183.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight183.20
XLogP30.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass183.08954328
Monoisotopic Mass183.08954328
Topological Polar Surface Area72.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity154
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