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7-Aminoisoquinoline

CAT: 0127-OR17108-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR17108-01Size:1 g
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CAS Number
23707-37-1
Synonyms
Isoquinolin-7-amine, 7-Amino-2-azanaphthalene
MDL Number
MFCD08669932
Purity
97%
Smiles
Nc1ccc2ccncc2c1
Storage Conditions
Store at 2-8°C

Chemical Information

Isoquinolin-7-amine
CAS Number23707-37-1
PubChem CID14660277
IUPAC Nameisoquinolin-7-amine
Molecular FormulaC9H8N2
Molecular Weight144.17
XLogP1.6
Topological Polar Surface Area38.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
C1=CC(=CC2=C1C=CN=C2)N
InChI
InChI=1S/C9H8N2/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-6H,10H2
InChIKey
DRGUQIQEUWFBDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoquinolin-7-amine
CAS: 23707-37-1
CID: 14660277
Formula: C9H8N2
MW: 144.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.17
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass144.068748264
Monoisotopic Mass144.068748264
Topological Polar Surface Area38.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
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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