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339556-29-5 | Methyl 3-(4-Phenylpiperazin-1-yl)propanoate
CAS No: 339556-29-5 Catalog No: AG01FB3E MDL No:
Product Description
Catalog Number:
AG01FB3E
Chemical Name:
Methyl 3-(4-Phenylpiperazin-1-yl)propanoate
CAS Number:
339556-29-5
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
methyl 3-(4-phenylpiperazin-1-yl)propanoate
InChI:
InChI=1S/C14H20N2O2/c1-18-14(17)7-8-15-9-11-16(12-10-15)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChI Key:
MPMIPDYEQJCGFY-UHFFFAOYSA-N
SMILES:
COC(=O)CCN1CCN(CC1)c1ccccc1
NSC Number:
111207
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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