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Noradrenaline (Norepinephrine) Impurity 24

CAT: 1299-RM-N151824-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N151824-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1891319-98-4
Synonyms
2-amino-1- (2,3-dihydroxyphenyl) ethanone
Molecular Formula
C8H9NO3
Molecular Weight
167.16
Target Alternative Name
Noradrenaline
Product Name Synonym
2-amino-1- (2,3-dihydroxyphenyl) ethanone

Chemical Information

2-Amino-1-(2,3-dihydroxyphenyl)ethan-1-one
CAS Number1891319-98-4
PubChem CID89392484
IUPAC Name2-amino-1-(2,3-dihydroxyphenyl)ethanone
Molecular FormulaC8H9NO3
Molecular Weight167.16
XLogP0.5
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity172
SMILES
C1=CC(=C(C(=C1)O)O)C(=O)CN
InChI
InChI=1S/C8H9NO3/c9-4-7(11)5-2-1-3-6(10)8(5)12/h1-3,10,12H,4,9H2
InChIKey
ZNDKVRMHECOXLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-1-(2,3-dihydroxyphenyl)ethan-1-one
CAS: 1891319-98-4
CID: 89392484
Formula: C8H9NO3
MW: 167.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight167.16
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass167.058243149
Monoisotopic Mass167.058243149
Topological Polar Surface Area83.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity172
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes