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Compound FL0060

CAT: 0013-GTR19269693-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269693-02Size:10 mg
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Description
Compound FL0060, with CAS No. 1628047-87-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0060 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
1628047-87-9
Purity
99.35% (May vary between batches)
Smiles
Cl.Cl.CC1 (C) CCC (CN2CCNCC2) =C (C1) c1ccc (Cl) cc1
Molecular Formula
C19H29Cl3N2
Molecular Weight
391.8050
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-(1,1'-biphenyl)-2-yl)methyl)piperazine dihydrochloride
CAS Number1628047-87-9
PubChem CID90404543
IUPAC Name1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;dihydrochloride
Molecular FormulaC19H29Cl3N2
Molecular Weight391.8
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity402
SMILES
CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCNCC3)C.Cl.Cl
InChI
InChI=1S/C19H27ClN2.2ClH/c1-19(2)8-7-16(14-22-11-9-21-10-12-22)18(13-19)15-3-5-17(20)6-4-15;;/h3-6,21H,7-14H2,1-2H3;2*1H
InChIKey
KISZDCHFJKYNFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-(1,1'-biphenyl)-2-yl)methyl)piperazine dihydrochloride
CAS: 1628047-87-9
CID: 90404543
Formula: C19H29Cl3N2
MW: 391.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass390.139632
Monoisotopic Mass390.139632
Topological Polar Surface Area15.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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