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Rotigotine impurity 2

CAT: 0804-HY-Z0731-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Z0731-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Rotigotine impurity 2 is an impurity of Rotigotine.
CAS Number
32920-08-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
96.90
Smiles
OC1CCC2=C(OC)C=CC=C2C1
Molecular Formula
C11H14O2
Molecular Weight
178.23
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

5-Methoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CAS Number32920-08-4
PubChem CID14948202
IUPAC Name5-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol
Molecular FormulaC11H14O2
Molecular Weight178.23
XLogP1.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity169
SMILES
COC1=CC=CC2=C1CCC(C2)O
InChI
InChI=1S/C11H14O2/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4,9,12H,5-7H2,1H3
InChIKey
CQLUQVLUGVECGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CAS: 32920-08-4
CID: 14948202
Formula: C11H14O2
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass178.099379685
Monoisotopic Mass178.099379685
Topological Polar Surface Area29.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity169
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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