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Cariprazine Impurity 16

CAT: 1299-RM-C013416-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C013416-01Size:10 mg
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CAS Number
1698050-40-6
Synonyms
N'-[trans-4- (2-Hydroxyethyl) cyclohexyl]-N, N-dimethylurea
Molecular Formula
C11H22N2O2
Molecular Weight
214.31
Target Alternative Name
Cariprazine
Product Name Synonym
N'-[trans-4- (2-Hydroxyethyl) cyclohexyl]-N, N-dimethylurea

Chemical Information

N'-[trans-4-(2-Hydroxyethyl)cyclohexyl]-N,N-dimethylurea
CAS Number1698050-40-6
PubChem CID118024771
IUPAC Name3-[4-(2-hydroxyethyl)cyclohexyl]-1,1-dimethylurea
Molecular FormulaC11H22N2O2
Molecular Weight214.30
XLogP0.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity199
SMILES
CN(C)C(=O)NC1CCC(CC1)CCO
InChI
InChI=1S/C11H22N2O2/c1-13(2)11(15)12-10-5-3-9(4-6-10)7-8-14/h9-10,14H,3-8H2,1-2H3,(H,12,15)
InChIKey
OHAWVGMOPTVENB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-[trans-4-(2-Hydroxyethyl)cyclohexyl]-N,N-dimethylurea
CAS: 1698050-40-6
CID: 118024771
Formula: C11H22N2O2
MW: 214.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.30
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass214.168127949
Monoisotopic Mass214.168127949
Topological Polar Surface Area52.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity199
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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