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34654-81-4 | 6-((3-Chloropropyl)amino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CAS No: 34654-81-4 Catalog No: AG003MYX MDL No:MFCD00453355
Product Description
Catalog Number:
AG003MYX
Chemical Name:
6-((3-Chloropropyl)amino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CAS Number:
34654-81-4
Molecular Formula:
C9H14ClN3O2
Molecular Weight:
231.6794
MDL Number:
MFCD00453355
IUPAC Name:
6-(3-chloropropylamino)-1,3-dimethylpyrimidine-2,4-dione
InChI:
InChI=1S/C9H14ClN3O2/c1-12-7(11-5-3-4-10)6-8(14)13(2)9(12)15/h6,11H,3-5H2,1-2H3
InChI Key:
RPYBDDBZRQGARJ-UHFFFAOYSA-N
SMILES:
ClCCCNc1cc(=O)n(c(=O)n1C)C
EC Number:
252-129-9
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.68g/mol
Monoisotopic Mass:
231.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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