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77917-04-5 | 2,3-Piperazinedione, 1-[(4-aminophenyl)methyl]-4-(phenylmethyl)-
CAS No: 77917-04-5 Catalog No: AG005EHV MDL No:
Product Description
Catalog Number:
AG005EHV
Chemical Name:
2,3-Piperazinedione, 1-[(4-aminophenyl)methyl]-4-(phenylmethyl)-
CAS Number:
77917-04-5
Molecular Formula:
C18H19N3O2
Molecular Weight:
309.3624
IUPAC Name:
1-[(4-aminophenyl)methyl]-4-benzylpiperazine-2,3-dione
InChI:
InChI=1S/C18H19N3O2/c19-16-8-6-15(7-9-16)13-21-11-10-20(17(22)18(21)23)12-14-4-2-1-3-5-14/h1-9H,10-13,19H2
InChI Key:
ATDGGTVWUJEFGV-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)CN1CCN(C(=O)C1=O)Cc1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.369g/mol
Monoisotopic Mass:
309.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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