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164733-60-2 | 2-Pyrimidinamine, N-[(4-methylphenyl)methylene]-
CAS No: 164733-60-2 Catalog No: AG001V27 MDL No:
Product Description
Catalog Number:
AG001V27
Chemical Name:
2-Pyrimidinamine, N-[(4-methylphenyl)methylene]-
CAS Number:
164733-60-2
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
IUPAC Name:
1-(4-methylphenyl)-N-pyrimidin-2-ylmethanimine
InChI:
InChI=1S/C12H11N3/c1-10-3-5-11(6-4-10)9-15-12-13-7-2-8-14-12/h2-9H,1H3
InChI Key:
OPFHKCSNCAJGKP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C=Nc1ncccn1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.241g/mol
Monoisotopic Mass:
197.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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