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Dimetindene Impurity 6

CAT: 1596-AR-D07160-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D07160-02Size:25 Units
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CAS Number
69705-09-5
Synonyms
2- (2- (dimethylamino) ethyl) -2-hydroxy-2,3-dihydro-1H-inden-1-one
Molecular Formula
C13H17NO2
Molecular Weight
219.28
API Name
Dimetindene

Chemical Information

2-(2-(Dimethylamino)ethyl)-2-hydroxy-2,3-dihydro-1H-inden-1-one
CAS Number69705-09-5
PubChem CID178875004
IUPAC Name2-[2-(dimethylamino)ethyl]-2-hydroxy-3H-inden-1-one
Molecular FormulaC13H17NO2
Molecular Weight219.28
XLogP1.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity277
SMILES
CN(C)CCC1(CC2=CC=CC=C2C1=O)O
InChI
InChI=1S/C13H17NO2/c1-14(2)8-7-13(16)9-10-5-3-4-6-11(10)12(13)15/h3-6,16H,7-9H2,1-2H3
InChIKey
BMPXHILZYGCFIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(Dimethylamino)ethyl)-2-hydroxy-2,3-dihydro-1H-inden-1-one
CAS: 69705-09-5
CID: 178875004
Formula: C13H17NO2
MW: 219.28
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.28
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass219.125928785
Monoisotopic Mass219.125928785
Topological Polar Surface Area40.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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