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13754-41-1 | 2-Piperazinone, 4-(phenylmethyl)-
CAS No: 13754-41-1 Catalog No: AG0013JD MDL No:MFCD06795962
Product Description
Catalog Number:
AG0013JD
Chemical Name:
2-Piperazinone, 4-(phenylmethyl)-
CAS Number:
13754-41-1
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD06795962
IUPAC Name:
4-benzylpiperazin-2-one
InChI:
InChI=1S/C11H14N2O/c14-11-9-13(7-6-12-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,14)
InChI Key:
SBWVHKNCFZRBRJ-UHFFFAOYSA-N
SMILES:
O=C1NCCN(C1)Cc1ccccc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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