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16154-70-4 | 1-Piperazinecarboxylic acid, 4-(4-aminophenyl)-, ethyl ester
CAS No: 16154-70-4 Catalog No: AG001VOR MDL No:MFCD11848963
Product Description
Catalog Number:
AG001VOR
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-aminophenyl)-, ethyl ester
CAS Number:
16154-70-4
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
MDL Number:
MFCD11848963
IUPAC Name:
ethyl 4-(4-aminophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C13H19N3O2/c1-2-18-13(17)16-9-7-15(8-10-16)12-5-3-11(14)4-6-12/h3-6H,2,7-10,14H2,1H3
InChI Key:
YMOGSBUAJSYWPC-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCN(CC1)c1ccc(cc1)N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.148g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.314g/mol
Monoisotopic Mass:
249.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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