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Compound Fr12418

CAT: 0013-GTR19269804-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269804-02Size:10 mg
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Description
Compound Fr12418, with CAS No. 66346-91-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12418 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
66346-91-6
Purity
99.32% (May vary between batches)
Smiles
NC1=NN=C (C=C1) N1CCOCC1
Molecular Formula
C8H12N4O
Molecular Weight
180.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Amino-6-morpholinopyridazine
CAS Number66346-91-6
PubChem CID13114295
IUPAC Name6-morpholin-4-ylpyridazin-3-amine
Molecular FormulaC8H12N4O
Molecular Weight180.21
XLogP-0.4
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity160
SMILES
C1COCCN1C2=NN=C(C=C2)N
InChI
InChI=1S/C8H12N4O/c9-7-1-2-8(11-10-7)12-3-5-13-6-4-12/h1-2H,3-6H2,(H2,9,10)
InChIKey
IEUHTZVAUDMKQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Amino-6-morpholinopyridazine
CAS: 66346-91-6
CID: 13114295
Formula: C8H12N4O
MW: 180.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.21
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass180.10111102
Monoisotopic Mass180.10111102
Topological Polar Surface Area64.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity160
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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