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Compound Fr13057

CAT: 0013-GTR19269872-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269872-02Size:10 mg
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Description
Compound Fr13057, with CAS No. 4721-98-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13057 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
4721-98-6
Purity
98.89% (May vary between batches)
Smiles
COc1cc2CCN=C (C) c2cc1OC
Molecular Formula
C12H15NO2
Molecular Weight
205.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,4-Dihydro-6,7-dimethoxy-1-methylisoquinoline

6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline is a member of isoquinolines.

CAS Number4721-98-6
PubChem CID22652
IUPAC Name6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline
Molecular FormulaC12H15NO2
Molecular Weight205.25
XLogP1.6
Topological Polar Surface Area30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity252
SMILES
CC1=NCCC2=CC(=C(C=C12)OC)OC
InChI
InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dihydro-6,7-dimethoxy-1-methylisoquinoline
CAS: 4721-98-6
CID: 22652
Formula: C12H15NO2
MW: 205.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.25
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass205.110278721
Monoisotopic Mass205.110278721
Topological Polar Surface Area30.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity252
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

Related Products

CatalogName
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GTR19270025-01Compound Fr14057
GTR19269874-01Compound Fr13075
GTR19269927-01Compound Fr13457
GTR19269936-01Compound Fr13576
GTR19269932-01Compound Fr13547
GTR19269926-01Compound Fr13454
GTR19269925-01Compound Fr13453
GTR19269893-01Compound Fr13217

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ALX-550-516-M025Compound A
C8444-50Compound C108
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A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090

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