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Compound Fr16648

CAT: 0013-GTR19270140-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19270140-01Size:1 mg
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Description
Compound Fr16648, with CAS No. 14099-81-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16648 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
14099-81-1
Smiles
Cl.C1Cc2ccccc2CN1
Molecular Formula
C9H11N.ClH
Molecular Weight
169.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,2,3,4-Tetrahydroisoquinoline Hydrochloride

1,2,3,4-Tetrahydroisoquinoline hydrochloride is a member of isoquinolines.

CAS Number14099-81-1
PubChem CID2734717
IUPAC Name1,2,3,4-tetrahydroisoquinoline;hydrochloride
Molecular FormulaC9H12ClN
Molecular Weight169.65
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity111
SMILES
C1CNCC2=CC=CC=C21.Cl
InChI
InChI=1S/C9H11N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H
InChIKey
MGFREDWKELGWML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,3,4-Tetrahydroisoquinoline Hydrochloride
CAS: 14099-81-1
CID: 2734717
Formula: C9H12ClN
MW: 169.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.65
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass169.0658271
Monoisotopic Mass169.0658271
Topological Polar Surface Area12 Ų
Heavy Atom Count11
Formal Charge0
Complexity111
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19270150-01Compound Fr16684
GTR19270153-01Compound Fr16688
GTR19270139-01Compound Fr16645
GTR19270138-01Compound Fr16644
GTR19270130-01Compound Fr16608
GTR19269944Compound Fr13648
GTR19270154-01Compound Fr16693
GTR19270149-01Compound Fr16681
GTR19269940-01Compound Fr13618
GTR19270152-01Compound Fr16687

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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