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Compound Fr13368

CAT: 0013-GTR19269916-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269916-01Size:1 mg
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Description
Compound Fr13368, with CAS No. 667865-02-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13368 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
667865-02-3
Smiles
CCCCNC (=O) N (C) C1CC2CC1C=C2 |c:15|
Molecular Formula
C13H22N2O
Molecular Weight
222.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-bicyclo[2.2.1]hept-5-en-2-yl-N'-butyl-N-methylurea
CAS Number667865-02-3
PubChem CID2805498
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-3-butyl-1-methylurea
Molecular FormulaC13H22N2O
Molecular Weight222.33
XLogP2.1
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity288
SMILES
CCCCNC(=O)N(C)C1CC2CC1C=C2
InChI
InChI=1S/C13H22N2O/c1-3-4-7-14-13(16)15(2)12-9-10-5-6-11(12)8-10/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKey
FXSHPYPGPUDCLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-bicyclo[2.2.1]hept-5-en-2-yl-N'-butyl-N-methylurea
CAS: 667865-02-3
CID: 2805498
Formula: C13H22N2O
MW: 222.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.33
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass222.173213330
Monoisotopic Mass222.173213330
Topological Polar Surface Area32.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity288
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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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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