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Noradrenaline (Norepinephrine) Impurity 33

CAT: 1299-RM-N151833-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N151833-01Size:10 mg
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CAS Number
21213-89-8
Synonyms
1- (4-hydroxyphenyl) -2- (methylamino) ethanone
Molecular Formula
C9H11NO2
Molecular Weight
165.19
Target Alternative Name
Noradrenaline
Product Name Synonym
1- (4-hydroxyphenyl) -2- (methylamino) ethanone

Chemical Information

4'-Hydroxy-2-(methylamino)acetophenone
CAS Number21213-89-8
PubChem CID88825
IUPAC Name1-(4-hydroxyphenyl)-2-(methylamino)ethanone
Molecular FormulaC9H11NO2
Molecular Weight165.19
XLogP1.2
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
CNCC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C9H11NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,10-11H,6H2,1H3
InChIKey
MTQOKMDKQJVMSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Hydroxy-2-(methylamino)acetophenone
CAS: 21213-89-8
CID: 88825
Formula: C9H11NO2
MW: 165.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight165.19
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass165.078978594
Monoisotopic Mass165.078978594
Topological Polar Surface Area49.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
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