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N-Phenylpyrazin-2-amine

CAT: 0926-NAA13434-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-NAA13434-01Size:50 mg
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CAS Number
13134-34-4
MDL Number
MFCD24388402
Smiles
C1=CC=C (C=C1) NC2=NC=CN=C2
Molecular Formula
C10H9N3
Molecular Weight
171.2 g/mol
Controlled
No

Chemical Information

N-phenylpyrazin-2-amine
CAS Number13134-34-4
PubChem CID6625165
IUPAC NameN-phenylpyrazin-2-amine
Molecular FormulaC10H9N3
Molecular Weight171.20
XLogP1.7
Topological Polar Surface Area37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity143
SMILES
C1=CC=C(C=C1)NC2=NC=CN=C2
InChI
InChI=1S/C10H9N3/c1-2-4-9(5-3-1)13-10-8-11-6-7-12-10/h1-8H,(H,12,13)
InChIKey
LDKTYXJWBONNCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-phenylpyrazin-2-amine
CAS: 13134-34-4
CID: 6625165
Formula: C10H9N3
MW: 171.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight171.20
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass171.079647300
Monoisotopic Mass171.079647300
Topological Polar Surface Area37.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity143
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