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5-AIQ . hydrochloride

CAT: 1106-ALX-270-285-M005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1106-ALX-270-285-M005Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93117-07-8
Product Name Alternative
5-Aminoisoquinolinone . HCl
Certification
RUO
Target
PARP
Type
Inhibitor
Stability
As indicated on product label or CoA when stored as recommended.
Purity
≥97% (HPLC)
Solubility
Soluble in water (warm) .
Molecular Formula
C 9 H 8 N 2 O . HCl
Molecular Weight
160.2 . 36.5
Shipping Conditions
Ambient Temperature
Storage Conditions
+4°C
Appearance
Beige to brown powder.

Chemical Information

5-AIQ hydrochloride
CAS Number93117-07-8
PubChem CID16078941
IUPAC Name5-amino-2H-isoquinolin-1-one;hydrochloride
Molecular FormulaC9H9ClN2O
Molecular Weight196.63
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity225
SMILES
C1=CC2=C(C=CNC2=O)C(=C1)N.Cl
InChI
InChI=1S/C9H8N2O.ClH/c10-8-3-1-2-7-6(8)4-5-11-9(7)12;/h1-5H,10H2,(H,11,12);1H
InChIKey
KWNLARCFSYAXLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-AIQ hydrochloride
CAS: 93117-07-8
CID: 16078941
Formula: C9H9ClN2O
MW: 196.63
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight196.63
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass196.0403406
Monoisotopic Mass196.0403406
Topological Polar Surface Area55.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes