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Ivabradine Impurity 18

CAT: 1596-AR-I02047-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I02047-01Size:10 Units
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CAS Number
73344-75-9
Synonyms
(3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl) methanamine;1- (3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl) methanamine; 3,4-Dimethoxy-bicyclo[4.2.0]octa-1,3,5-triene-7-methanamine;4,5-Dimethoxy-1- (aminomethyl) benzocyclobutane
Molecular Formula
C11H15NO2
Molecular Weight
193.25
API Name
Ivabradine

Chemical Information

(3,4-Dimethoxy-bicyclo[4.2.0]octa-1,3,5-trien-7-yl)-methylamine
CAS Number73344-75-9
PubChem CID423512
IUPAC Name(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
Molecular FormulaC11H15NO2
Molecular Weight193.24
XLogP0
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity198
SMILES
COC1=C(C=C2C(CC2=C1)CN)OC
InChI
InChI=1S/C11H15NO2/c1-13-10-4-7-3-8(6-12)9(7)5-11(10)14-2/h4-5,8H,3,6,12H2,1-2H3
InChIKey
JDZSBHBIJDIACW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3,4-Dimethoxy-bicyclo[4.2.0]octa-1,3,5-trien-7-yl)-methylamine
CAS: 73344-75-9
CID: 423512
Formula: C11H15NO2
MW: 193.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.24
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass193.110278721
Monoisotopic Mass193.110278721
Topological Polar Surface Area44.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity198
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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