5-Methoxyisoquinolin-8-amine

CAT: 0926-EWB27618-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-EWB27618-01Size:50 mg

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CAS Number

1154276-18-2

MDL Number

MFCD12172934

Smiles

COC1=C2C=CN=CC2=C (C=C1) N

Molecular Formula

C10H10N2O

Molecular Weight

174.2 g/mol

Controlled

Chemical Information

5-Methoxyisoquinolin-8-amine

CAS Number	1154276-18-2
PubChem CID	43448850
IUPAC Name	5-methoxyisoquinolin-8-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=C2C=CN=CC2=C(C=C1)N

InChI

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

InChIKey

NSZPPRZWRKJASB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1154276-18-2

CID: 43448850

Formula: C10H10N2O

MW: 174.20

Interactive 3D Structure

Loading 3D structure...

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

Catalog	Name
FCA76674-01	7-Methoxyisoquinolin-8-amine
XCA67802-01	1-Methoxyisoquinolin-5-amine
ZEC65202-01	1-Methoxyisoquinolin-7-amine
FDA90034-01	3-Methoxyisoquinolin-1-amine
XNA14647-01	1-Methoxyisoquinolin-6-amine
TEA31335-01	5-Methoxyisoquinolin-1 (2H) -one
EWB23671-01	5-Methanesulfonylquinolin-8-amine
SBA60639-01	8-Nitroquinolin-5-amine
EWB27584-01	5-Ethoxyquinolin-8-amine
GWB94049-01	5-Methanesulfonylisoquinolin-8-amine