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Kojic amine

CAT: 0013-GTR19211069-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211069-01Size:25 mg
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Description
Kojic amine is a potent and specific GABA receptor agonist that inhibits Na+-independent GABA binding in rat brain membranes. It is used in neuroscience research to study GABAergic neurotransmission in both in vitro receptor binding assays and in vivo models of neurological function.
CAS Number
68642-64-8
Smiles
C (N) C1=CC (=O) C (O) =CO1
Molecular Formula
C6H7NO3
Molecular Weight
141.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Kojic amine

author refers to above as GABA analog; RN given refers to parent cpd; structure

CAS Number68642-64-8
PubChem CID3841
IUPAC Name2-(aminomethyl)-5-hydroxypyran-4-one
Molecular FormulaC6H7NO3
Molecular Weight141.12
XLogP-1.2
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity217
SMILES
C1=C(OC=C(C1=O)O)CN
InChI
InChI=1S/C6H7NO3/c7-2-4-1-5(8)6(9)3-10-4/h1,3,9H,2,7H2
InChIKey
AULIQBZSRZXJJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kojic amine
CAS: 68642-64-8
CID: 3841
Formula: C6H7NO3
MW: 141.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.12
XLogP3-1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass141.042593085
Monoisotopic Mass141.042593085
Topological Polar Surface Area72.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity217
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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