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Thalline

CAT: 0931-TYD-02220-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-02220-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120-15-0
Target
Others
Related Pathways
Others
Bioactivity
Thalline (Thallin) is a derivative of tetrahydroquinoline and is utilized in chemical synthesis.
Smiles
O(C1=CC=C2NCCCC2=C1)C
Molecular Formula
C10H13NO
Molecular Weight
163.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CAS Number120-15-0
PubChem CID67113
IUPAC Name6-methoxy-1,2,3,4-tetrahydroquinoline
Molecular FormulaC10H13NO
Molecular Weight163.22
XLogP2.3
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity149
SMILES
COC1=CC2=C(C=C1)NCCC2
InChI
InChI=1S/C10H13NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3
InChIKey
FRXSZNDVFUDTIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CAS: 120-15-0
CID: 67113
Formula: C10H13NO
MW: 163.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.22
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass163.099714038
Monoisotopic Mass163.099714038
Topological Polar Surface Area21.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity149
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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