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116114-59-1 | 2-Pyrazinamine, 3-(3-methylphenyl)-
CAS No: 116114-59-1 Catalog No: AG000BO9 MDL No:
Product Description
Catalog Number:
AG000BO9
Chemical Name:
2-Pyrazinamine, 3-(3-methylphenyl)-
CAS Number:
116114-59-1
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
IUPAC Name:
3-(3-methylphenyl)pyrazin-2-amine
InChI:
InChI=1S/C11H11N3/c1-8-3-2-4-9(7-8)10-11(12)14-6-5-13-10/h2-7H,1H3,(H2,12,14)
InChI Key:
BXLHLWLGHGGRHE-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nccnc1N
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.23g/mol
Monoisotopic Mass:
185.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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