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Compound Fr13055

CAT: 0931-Fr13055-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13055-01Size:50 mg
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CAS Number
40571-86-6
Bioactivity
Compound Fr13055, with CAS No. 40571-86-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13055 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.
Smiles
O[C@@H]1CCCC[C@H]1NCc1ccccc1
Molecular Formula
C13H19NO
Molecular Weight
205.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1R,2R)-2-(benzylamino)cyclohexanol
CAS Number40571-86-6
PubChem CID2724650
IUPAC Nametrans-(1R,2R)-2-(benzylamino)cyclohexan-1-ol
Molecular FormulaC13H19NO
Molecular Weight205.30
XLogP1.9
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity177
SMILES
C1CC[C@H]([C@@H](C1)NCC2=CC=CC=C2)O
InChI
InChI=1S/C13H19NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13-/m1/s1
InChIKey
NJNCYFUGUYIMEQ-CHWSQXEVSA-N
Chemical Structure
2D Structure
2D structure of (1R,2R)-2-(benzylamino)cyclohexanol
CAS: 40571-86-6
CID: 2724650
Formula: C13H19NO
MW: 205.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.30
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass205.146664230
Monoisotopic Mass205.146664230
Topological Polar Surface Area32.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity177
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr13045-01Compound Fr13045
Fr13855-01Compound Fr13855
Fr13655-01Compound Fr13655
Fr13455-01Compound Fr13455
Fr13255-01Compound Fr13255
Fr13050-01Compound Fr13050
Fr13005-01Compound Fr13005
Fr13051-01Compound Fr13051
Fr13025-01Compound Fr13025
Fr13058-01Compound Fr13058

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CatalogName
ALX-550-516-M025Compound A
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C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
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HY-14176-01Compound E
HY-U00358Compound 2
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