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N-Desmethyl Rivastigmine

CAT: 1596-AR-R01847-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R01847-01Size:10 Units
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CAS Number
1070660-34-2
Synonyms
(S) -3- (1- (methylamino) ethyl) phenyl ethyl (methyl) carbamate; N-Ethylcarbamic Acid 3-[ (1S) -1- (Dimethylamino) ethyl]phenyl Ester
Molecular Formula
C13H20N2O2
Molecular Weight
236.32
API Name
Rivastigmine

Chemical Information

N-Ethylcarbamic Acid 3-[(1S)-1-(Dimethylamino)ethyl]phenyl Ester
CAS Number1070660-34-2
PubChem CID25095376
IUPAC Name[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethylcarbamate
Molecular FormulaC13H20N2O2
Molecular Weight236.31
XLogP2.1
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity244
SMILES
CCNC(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C
InChI
InChI=1S/C13H20N2O2/c1-5-14-13(16)17-12-8-6-7-11(9-12)10(2)15(3)4/h6-10H,5H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKey
UBMYZKQTEJHAKE-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of N-Ethylcarbamic Acid 3-[(1S)-1-(Dimethylamino)ethyl]phenyl Ester
CAS: 1070660-34-2
CID: 25095376
Formula: C13H20N2O2
MW: 236.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight236.31
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass236.152477885
Monoisotopic Mass236.152477885
Topological Polar Surface Area41.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes