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6-Methoxyisoquinolin-4-amine

CAT: 0127-OR1061986-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1061986-01Size:100 mg
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CAS Number
1780189-97-0
MDL Number
MFCD32706636
Purity
98%
Smiles
NC1=CN=CC2=C1C=C(OC)C=C2

Chemical Information

6-Methoxyisoquinolin-4-amine
CAS Number1780189-97-0
PubChem CID84717524
IUPAC Name6-methoxyisoquinolin-4-amine
Molecular FormulaC10H10N2O
Molecular Weight174.20
XLogP1.4
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
COC1=CC2=C(C=NC=C2C=C1)N
InChI
InChI=1S/C10H10N2O/c1-13-8-3-2-7-5-12-6-10(11)9(7)4-8/h2-6H,11H2,1H3
InChIKey
VIRYHFKACBTPCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxyisoquinolin-4-amine
CAS: 1780189-97-0
CID: 84717524
Formula: C10H10N2O
MW: 174.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.20
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass174.079312947
Monoisotopic Mass174.079312947
Topological Polar Surface Area48.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity174
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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