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Rivastigmine Impurity 14

CAT: 1299-RM-R221940-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R221940-01Size:10 mg
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CAS Number
1346242-31-6
Synonyms
3-nitrophenyl ethyl (methyl) carbamate
Molecular Formula
C10H12N2O4
Molecular Weight
224.21
Target Alternative Name
Rivastigmine
Product Name Synonym
3-nitrophenyl ethyl (methyl) carbamate

Chemical Information

3-Nitrophenyl ethyl(methyl)carbamate
CAS Number1346242-31-6
PubChem CID72942021
IUPAC Name(3-nitrophenyl) N-ethyl-N-methylcarbamate
Molecular FormulaC10H12N2O4
Molecular Weight224.21
XLogP2.2
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity264
SMILES
CCN(C)C(=O)OC1=CC=CC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O4/c1-3-11(2)10(13)16-9-6-4-5-8(7-9)12(14)15/h4-7H,3H2,1-2H3
InChIKey
DFECCKHSYUWCIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Nitrophenyl ethyl(methyl)carbamate
CAS: 1346242-31-6
CID: 72942021
Formula: C10H12N2O4
MW: 224.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.21
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass224.07970687
Monoisotopic Mass224.07970687
Topological Polar Surface Area75.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity264
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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