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2,6-Diaminopyrazine

CAT: 0127-OR951645-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR951645-01Size:1 g
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CAS Number
41536-80-5
MDL Number
MFCD09907864
Purity
97%
Smiles
Nc1cncc(N)n1
Storage Conditions
Store at 2-8°C

Chemical Information

2,6-Pyrazinediamine
CAS Number41536-80-5
PubChem CID534688
IUPAC Namepyrazine-2,6-diamine
Molecular FormulaC4H6N4
Molecular Weight110.12
XLogP-0.5
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity66
SMILES
C1=C(N=C(C=N1)N)N
InChI
InChI=1S/C4H6N4/c5-3-1-7-2-4(6)8-3/h1-2H,(H4,5,6,8)
InChIKey
GYRUCENCQMAGLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Pyrazinediamine
CAS: 41536-80-5
CID: 534688
Formula: C4H6N4
MW: 110.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight110.12
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass110.059246208
Monoisotopic Mass110.059246208
Topological Polar Surface Area77.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity66.4
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