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189140-04-3 | 2(1H)-Pyrimidinone, 4-amino-1-(2-heptylundecyl)-
CAS No: 189140-04-3 Catalog No: AG002HX5 MDL No:
Product Description
Catalog Number:
AG002HX5
Chemical Name:
2(1H)-Pyrimidinone, 4-amino-1-(2-heptylundecyl)-
CAS Number:
189140-04-3
Molecular Formula:
C22H41N3O
Molecular Weight:
363.5804
IUPAC Name:
4-amino-1-(2-heptylundecyl)pyrimidin-2-one
InChI:
InChI=1S/C22H41N3O/c1-3-5-7-9-10-12-14-16-20(15-13-11-8-6-4-2)19-25-18-17-21(23)24-22(25)26/h17-18,20H,3-16,19H2,1-2H3,(H2,23,24,26)
InChI Key:
WVZZJRYTHOGEPT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(Cn1ccc(nc1=O)N)CCCCCCC
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.325g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.59g/mol
Monoisotopic Mass:
363.325g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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