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87887-67-0 | Piperazine, 1-(diphenylmethyl)-4-(2-phenoxyethyl)-, ethanedioate
CAS No: 87887-67-0 Catalog No: AG004E6T MDL No:
Product Description
Catalog Number:
AG004E6T
Chemical Name:
Piperazine, 1-(diphenylmethyl)-4-(2-phenoxyethyl)-, ethanedioate
CAS Number:
87887-67-0
Molecular Formula:
C27H30N2O5
Molecular Weight:
462.5375
IUPAC Name:
1-benzhydryl-4-(2-phenoxyethyl)piperazine;oxalic acid
InChI:
InChI=1S/C25H28N2O.C2H2O4/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23)27-18-16-26(17-19-27)20-21-28-24-14-8-3-9-15-24;3-1(4)2(5)6/h1-15,25H,16-21H2;(H,3,4)(H,5,6)
InChI Key:
CRMPZNSTPAHXRN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1.OC(=O)C(=O)O
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.215g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
462.546g/mol
Monoisotopic Mass:
462.215g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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