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5-Aminoquinoxaline

CAT: 0127-OR17202-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR17202-01Size:250 mg
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CAS Number
16566-20-4
Synonyms
Quinoxalin-5-amine, 5-Amino-1,4-benzodiazine
MDL Number
MFCD01684973
Purity
96%
Smiles
Nc1cccc2nccnc12

Chemical Information

5-Aminoquinoxaline
CAS Number16566-20-4
PubChem CID85494
IUPAC Namequinoxalin-5-amine
Molecular FormulaC8H7N3
Molecular Weight145.16
XLogP1.3
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity137
SMILES
C1=CC(=C2C(=C1)N=CC=N2)N
InChI
InChI=1S/C8H7N3/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-5H,9H2
InChIKey
SAAYZFAHJFPOHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Aminoquinoxaline
CAS: 16566-20-4
CID: 85494
Formula: C8H7N3
MW: 145.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.16
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass145.063997236
Monoisotopic Mass145.063997236
Topological Polar Surface Area51.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity137
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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