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Thalline

CAT: 0804-HY-W000806-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W000806-01Size:250 mg
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Description
Thalline (Thallin) is a tetrahydroquinoline derivative that can be used in chemical synthesis[1].
CAS Number
120-15-0
Product Name Alternative
Thallin
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
99.96
Smiles
COC1=CC(CCCN2)=C2C=C1
Molecular Formula
C10H13NO
Molecular Weight
163.22
Precautions
H302, H315, H319, H335
References & Citations
[1]Cromwell N H, et al. α, β-Diamino Ketones. II. 1 Reactions of Thalline and Open Chain Secondary Amines with α-Bromo-β-aminoketones[J]. Journal of the American Chemical Society, 1944, 66 (3) : 401-403.
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

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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