8-Methoxyisoquinolin-4-amine

CAT: 0127-OR1061734-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1061734-01Size:100 mg

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CAS Number

1783658-02-5

MDL Number

MFCD31729495

Purity

98%

Smiles

NC1=CN=CC2=C1C=CC=C2OC

Chemical Information

8-Methoxyisoquinolin-4-amine

CAS Number	1783658-02-5
PubChem CID	84717525
IUPAC Name	8-methoxyisoquinolin-4-amine
Molecular Formula	C10H10N2O
Molecular Weight	174.20
XLogP	1.4
Topological Polar Surface Area	48.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	174

SMILES

COC1=CC=CC2=C(C=NC=C21)N

InChI

InChI=1S/C10H10N2O/c1-13-10-4-2-3-7-8(10)5-12-6-9(7)11/h2-6H,11H2,1H3

InChIKey

IOEVVRDGLKFFTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1783658-02-5

CID: 84717525

Formula: C10H10N2O

MW: 174.20

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	174.20
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	174.079312947
Monoisotopic Mass	174.079312947
Topological Polar Surface Area	48.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	174
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes