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6-Aminoisoquinoline

CAT: 0572-TRC-A611030-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A611030-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23687-26-5
Synonyms
Isoquinolin-6-ylamine; 6-Isoquinolinamine; isoquinolin-6-amine
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Nc1ccc2cnccc2c1
Molecular Formula
C9 H8 N2
Molecular Weight
144.173
InChI
InChI=1S/C9H8N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H,10H2
Additionnal Information
IUPAC name: isoquinolin-6-amine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6-Aminoisoquinoline
CAS Number23687-26-5
PubChem CID588991
IUPAC Nameisoquinolin-6-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=CC2=C(C=CN=C2)C=C1N
InChI
InChI=1S/C9H8N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H,10H2
InChIKey
NGFCTYXFMDWFRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Aminoisoquinoline
CAS: 23687-26-5
CID: 588991
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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