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896213-29-9 | METHYL 2-[4-(-2-PYRIMIDYL)-1-PIPERAZINYL]ACETATE
CAS No: 896213-29-9 Catalog No: AG003RM4 MDL No:MFCD05071221
Product Description
Catalog Number:
AG003RM4
Chemical Name:
METHYL 2-[4-(-2-PYRIMIDYL)-1-PIPERAZINYL]ACETATE
CAS Number:
896213-29-9
Molecular Formula:
C11H16N4O2
Molecular Weight:
236.2703
MDL Number:
MFCD05071221
IUPAC Name:
methyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate
InChI:
InChI=1S/C11H16N4O2/c1-17-10(16)9-14-5-7-15(8-6-14)11-12-3-2-4-13-11/h2-4H,5-9H2,1H3
InChI Key:
LKIKANDKOLNBGH-UHFFFAOYSA-N
SMILES:
COC(=O)CN1CCN(CC1)c1ncccn1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.275g/mol
Monoisotopic Mass:
236.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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