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765303-86-4 | Decanoic acid, compd. with 4,6-dimethyl-N-phenyl-2-pyrimidinamine(1:1)
CAS No: 765303-86-4 Catalog No: AG005KR2 MDL No:
Product Description
Catalog Number:
AG005KR2
Chemical Name:
Decanoic acid, compd. with 4,6-dimethyl-N-phenyl-2-pyrimidinamine(1:1)
CAS Number:
765303-86-4
Molecular Formula:
C22H33N3O2
Molecular Weight:
371.5163
IUPAC Name:
decanoic acid;4,6-dimethyl-N-phenylpyrimidin-2-amine
InChI:
InChI=1S/C12H13N3.C10H20O2/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11;1-2-3-4-5-6-7-8-9-10(11)12/h3-8H,1-2H3,(H,13,14,15);2-9H2,1H3,(H,11,12)
InChI Key:
RPZYDBCWFXZADO-UHFFFAOYSA-N
SMILES:
Cc1cc(C)nc(n1)Nc1ccccc1.CCCCCCCCCC(=O)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.257g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.525g/mol
Monoisotopic Mass:
371.257g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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