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Noradrenaline (Norepinephrine) Impurity 61

CAT: 1299-RM-N151861-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N151861-01Size:10 mg
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CAS Number
35538-87-5
Synonyms
4- (2-amino-1-hydroxyethyl) -2-hydroxyphenyl hydrogen sulfate
Molecular Formula
C8H11NO6S
Molecular Weight
249.24
Target Alternative Name
Noradrenaline
Product Name Synonym
4- (2-amino-1-hydroxyethyl) -2-hydroxyphenyl hydrogen sulfate

Chemical Information

[4-(2-Amino-1-hydroxyethyl)-2-hydroxyphenyl] hydrogen sulfate
CAS Number35538-87-5
PubChem CID9992243
IUPAC Name[4-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl] hydrogen sulfate
Molecular FormulaC8H11NO6S
Molecular Weight249.24
XLogP-4.1
Topological Polar Surface Area138
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity313
SMILES
C1=CC(=C(C=C1C(CN)O)O)OS(=O)(=O)O
InChI
InChI=1S/C8H11NO6S/c9-4-7(11)5-1-2-8(6(10)3-5)15-16(12,13)14/h1-3,7,10-11H,4,9H2,(H,12,13,14)
InChIKey
CVJMZWLHUCMEKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-(2-Amino-1-hydroxyethyl)-2-hydroxyphenyl] hydrogen sulfate
CAS: 35538-87-5
CID: 9992243
Formula: C8H11NO6S
MW: 249.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight249.24
XLogP3-4.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass249.03070824
Monoisotopic Mass249.03070824
Topological Polar Surface Area138 Ų
Heavy Atom Count16
Formal Charge0
Complexity313
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