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Noradrenaline (Norepinephrine) Impurity 70

CAT: 1299-RM-N151870-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N151870-01Size:10 mg
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CAS Number
4821-00-5
Synonyms
1-methyl-1H-indole-5,6-diol
Molecular Formula
C9H9NO2
Molecular Weight
163.18
Target Alternative Name
Noradrenaline (Norepinephrine)
Product Name Synonym
1-methyl-1H-indole-5,6-diol

Chemical Information

N-Methyl-5,6-dihydroxyindole

N-methyl-5,6-dihydroxyindole is a dihydroxyindole.

CAS Number4821-00-5
PubChem CID151232
IUPAC Name1-methylindole-5,6-diol
Molecular FormulaC9H9NO2
Molecular Weight163.17
XLogP1.3
Topological Polar Surface Area45.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity174
SMILES
CN1C=CC2=CC(=C(C=C21)O)O
InChI
InChI=1S/C9H9NO2/c1-10-3-2-6-4-8(11)9(12)5-7(6)10/h2-5,11-12H,1H3
InChIKey
VXOSJAYSAUDUOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methyl-5,6-dihydroxyindole
CAS: 4821-00-5
CID: 151232
Formula: C9H9NO2
MW: 163.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.17
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass163.063328530
Monoisotopic Mass163.063328530
Topological Polar Surface Area45.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity174
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