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87887-75-0 | Piperazine, 1-cyclohexyl-4-(diphenylmethyl)-, ethanedioate
CAS No: 87887-75-0 Catalog No: AG004IJL MDL No:
Product Description
Catalog Number:
AG004IJL
Chemical Name:
Piperazine, 1-cyclohexyl-4-(diphenylmethyl)-, ethanedioate
CAS Number:
87887-75-0
Molecular Formula:
C25H32N2O4
Molecular Weight:
424.5326
IUPAC Name:
1-benzhydryl-4-cyclohexylpiperazine;oxalic acid
InChI:
InChI=1S/C23H30N2.C2H2O4/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21)25-18-16-24(17-19-25)22-14-8-3-9-15-22;3-1(4)2(5)6/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2;(H,3,4)(H,5,6)
InChI Key:
ZQBQHECZTRPKMD-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)c1ccccc1.OC(=O)C(=O)O
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.236g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
424.541g/mol
Monoisotopic Mass:
424.236g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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