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N, N'-Dicyclohexylurea

CAT: 0607-C3458-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0607-C3458-500Size:500 mg
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Description
Soluble epoxide hydrolase (sEH) inhibitor
CAS Number
2387-23-7
Product Name Alternative
1,3-dicyclohexylurea
Synonyms
DCU, NSC 17013
Purity
0.98
Solubility
Insoluble in H2O; insoluble in EtOH; ≥4.53 mg/mL in DMSO with gentle warming
Smiles
O=C (NC1CCCCC1) NC1CCCCC1
Molecular Formula
C13H24N2O
Molecular Weight
224.34
Storage Conditions
Store at -20°C

Chemical Information

N,N'-Dicyclohexylurea

1,3-dicyclohexylurea is a member of ureas.

CAS Number2387-23-7
PubChem CID4277
IUPAC Name1,3-dicyclohexylurea
Molecular FormulaC13H24N2O
Molecular Weight224.34
XLogP3
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity196
SMILES
C1CCC(CC1)NC(=O)NC2CCCCC2
InChI
InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
InChIKey
ADFXKUOMJKEIND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N'-Dicyclohexylurea
CAS: 2387-23-7
CID: 4277
Formula: C13H24N2O
MW: 224.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.34
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass224.188863393
Monoisotopic Mass224.188863393
Topological Polar Surface Area41.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity196
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

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