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Compound Fr16705

CAT: 0013-GTR19270156-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19270156-01Size:5 mg
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Description
Compound Fr16705, with CAS No. 68283-19-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16705 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
68283-19-2
Smiles
CCCCC1=NC=C (CO) N1
Molecular Formula
C8H14N2O
Molecular Weight
154.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Butyl-5-hydroxymethylimidazole

(2-butyl-1H-imidazol-4-yl)methanol is a member of imidazoles.

CAS Number68283-19-2
PubChem CID2735673
IUPAC Name(2-butyl-1H-imidazol-5-yl)methanol
Molecular FormulaC8H14N2O
Molecular Weight154.21
XLogP0.9
Topological Polar Surface Area48.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity108
SMILES
CCCCC1=NC=C(N1)CO
InChI
InChI=1S/C8H14N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5,11H,2-4,6H2,1H3,(H,9,10)
InChIKey
UZKBZGAMRJRWLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Butyl-5-hydroxymethylimidazole
CAS: 68283-19-2
CID: 2735673
Formula: C8H14N2O
MW: 154.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.21
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass154.110613074
Monoisotopic Mass154.110613074
Topological Polar Surface Area48.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity108
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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GTR19270072-01Compound Fr14305
GTR19269836-01Compound Fr12755
GTR19270145-01Compound Fr16670
GTR19269961-01Compound Fr13703
GTR19269952Compound Fr13675
GTR19269839-01Compound Fr12765

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090

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