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Apremilast impurity 2

CAT: 0013-GTR19280933-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19280933-02Size:10 mg
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Description
Apremilast impurity 2 is an impurity of Apremilast.
CAS Number
1956-36-1
Smiles
ON=CC1=CC=C (OC) C (OCC) =C1
Molecular Formula
C10H13NO3
Molecular Weight
195.22
Notes
For research use only.

Chemical Information

Benzaldehyde, 3-ethoxy-4-methoxy-, oxime
CAS Number1956-36-1
PubChem CID3026976
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
Molecular FormulaC10H13NO3
Molecular Weight195.21
XLogP2.2
Topological Polar Surface Area51.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity184
SMILES
CCOC1=C(C=CC(=C1)C=NO)OC
InChI
InChI=1S/C10H13NO3/c1-3-14-10-6-8(7-11-12)4-5-9(10)13-2/h4-7,12H,3H2,1-2H3
InChIKey
FVYXOGUMKIMTAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzaldehyde, 3-ethoxy-4-methoxy-, oxime
CAS: 1956-36-1
CID: 3026976
Formula: C10H13NO3
MW: 195.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.21
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass195.08954328
Monoisotopic Mass195.08954328
Topological Polar Surface Area51.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity184
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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RM-A162983-01Apremilast Impurity C (Apremilast Dimer)
HY-Z0531-01Apremilast impurity 2
HY-I0743-01Apremilast impurity 1
RM-A162994-01Apremilast Impurity N
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