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314268-40-1 | Methyl 4-(4-Methylpiperazinomethyl)benzoate
CAS No: 314268-40-1 Catalog No: AG003RTQ MDL No:MFCD01467150
Product Description
Catalog Number:
AG003RTQ
Chemical Name:
Methyl 4-(4-Methylpiperazinomethyl)benzoate
CAS Number:
314268-40-1
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD01467150
IUPAC Name:
methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
InChI:
InChI=1S/C14H20N2O2/c1-15-7-9-16(10-8-15)11-12-3-5-13(6-4-12)14(17)18-2/h3-6H,7-11H2,1-2H3
InChI Key:
MEYCYFIWDAQKQK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)CN1CCN(CC1)C
Properties
Complexity:
267
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:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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