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Coryneine

CAT: 0931-TN7066-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7066-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7224-66-0
Target
Others
Related Pathways
Others
Purity
0.9809
Bioactivity
Coryneine (Trimethyl (3,4-dihydroxyphenethyl) aminium) is a quaternary ammonium derivative of dopamine derived from aconite root.
Smiles
C(C[N+](C)(C)C)C1=CC(O)=C(O)C=C1
Molecular Formula
C11H18NO2
Molecular Weight
196.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Coryneine

Coryneine is a catecholamine.

CAS Number7224-66-0
PubChem CID165581
IUPAC Name2-(3,4-dihydroxyphenyl)ethyl-trimethylazanium
Molecular FormulaC11H18NO2+
Molecular Weight196.27
XLogP0
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge1
Complexity177
SMILES
C[N+](C)(C)CCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C11H17NO2/c1-12(2,3)7-6-9-4-5-10(13)11(14)8-9/h4-5,8H,6-7H2,1-3H3,(H-,13,14)/p+1
InChIKey
VDTBORSEFUUDTP-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of Coryneine
CAS: 7224-66-0
CID: 165581
Formula: C11H18NO2+
MW: 196.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.27
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass196.133753817
Monoisotopic Mass196.133753817
Topological Polar Surface Area40.5 Ų
Heavy Atom Count14
Formal Charge1
Complexity177
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

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