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3- (2-Methoxyethoxy) pyrazin-2-amine

CAT: 0926-AGC82053-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-AGC82053-01Size:50 mg
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CAS Number
1400820-53-2
MDL Number
MFCD24646060
Smiles
COCCOC1=NC=CN=C1N
Molecular Formula
C7H11N3O2
Molecular Weight
169.18 g/mol
Controlled
No

Chemical Information

2-Pyrazinamine, 3-(2-methoxyethoxy)-
CAS Number1400820-53-2
PubChem CID103846355
IUPAC Name3-(2-methoxyethoxy)pyrazin-2-amine
Molecular FormulaC7H11N3O2
Molecular Weight169.18
XLogP-0.4
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity123
SMILES
COCCOC1=NC=CN=C1N
InChI
InChI=1S/C7H11N3O2/c1-11-4-5-12-7-6(8)9-2-3-10-7/h2-3H,4-5H2,1H3,(H2,8,9)
InChIKey
JQXDLTNJBSLKPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Pyrazinamine, 3-(2-methoxyethoxy)-
CAS: 1400820-53-2
CID: 103846355
Formula: C7H11N3O2
MW: 169.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight169.18
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass169.085126602
Monoisotopic Mass169.085126602
Topological Polar Surface Area70.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity123
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