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115994-87-1 | 1-Piperazinecarboxamide, N-phenyl-
CAS No: 115994-87-1 Catalog No: AG000HE4 MDL No:MFCD01593572
Product Description
Catalog Number:
AG000HE4
Chemical Name:
1-Piperazinecarboxamide, N-phenyl-
CAS Number:
115994-87-1
Molecular Formula:
C11H15N3O
Molecular Weight:
205.2563
MDL Number:
MFCD01593572
IUPAC Name:
N-phenylpiperazine-1-carboxamide
InChI:
InChI=1S/C11H15N3O/c15-11(14-8-6-12-7-9-14)13-10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H,13,15)
InChI Key:
YEQDVKYOHVLZPU-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCC1)Nc1ccccc1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.261g/mol
Monoisotopic Mass:
205.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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