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87887-57-8 | Piperazine, 1-(2-butenyl)-4-(diphenylmethyl)-, ethanedioate
CAS No: 87887-57-8 Catalog No: AG004IJM MDL No:
Product Description
Catalog Number:
AG004IJM
Chemical Name:
Piperazine, 1-(2-butenyl)-4-(diphenylmethyl)-, ethanedioate
CAS Number:
87887-57-8
Molecular Formula:
C23H28N2O4
Molecular Weight:
396.4794
IUPAC Name:
1-benzhydryl-4-but-2-enylpiperazine;oxalic acid
InChI:
InChI=1S/C21H26N2.C2H2O4/c1-2-3-14-22-15-17-23(18-16-22)21(19-10-6-4-7-11-19)20-12-8-5-9-13-20;3-1(4)2(5)6/h2-13,21H,14-18H2,1H3;(H,3,4)(H,5,6)
InChI Key:
QIZMPVIAJYAZFS-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CC=CCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.205g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
396.487g/mol
Monoisotopic Mass:
396.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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