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Isoproterenol Impurity 3

CAT: 1299-RM-I191629-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I191629-01Size:10 mg
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CAS Number
14309-63-8
Synonyms
4- (1-hydroxy-2- (isopropylamino) ethyl) cyclohexa-3,5-diene-1,2-dione
Molecular Formula
C11H15NO3
Molecular Weight
209.24
Target Alternative Name
Isoproterenol
Product Name Synonym
4- (1-hydroxy-2- (isopropylamino) ethyl) cyclohexa-3,5-diene-1,2-dione

Chemical Information

Isoproterenol Impurity 3
CAS Number14309-63-8
PubChem CID14717955
IUPAC Name4-[1-hydroxy-2-(propan-2-ylamino)ethyl]cyclohexa-3,5-diene-1,2-dione
Molecular FormulaC11H15NO3
Molecular Weight209.24
XLogP-0.6
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity329
SMILES
CC(C)NCC(C1=CC(=O)C(=O)C=C1)O
InChI
InChI=1S/C11H15NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-12,15H,6H2,1-2H3
InChIKey
IQJDWGBGLVHLOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoproterenol Impurity 3
CAS: 14309-63-8
CID: 14717955
Formula: C11H15NO3
MW: 209.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.24
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass209.10519334
Monoisotopic Mass209.10519334
Topological Polar Surface Area66.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity329
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

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