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23111-67-3

23111-67-3 | Piperazine, 1,1'-ethylenebis[4-benzyl-, tetrahydrochloride (8CI)

CAS No: 23111-67-3 Catalog No: AG002M84 MDL No:

Product Description

Catalog Number:
AG002M84
Chemical Name:
Piperazine, 1,1'-ethylenebis[4-benzyl-, tetrahydrochloride (8CI)
CAS Number:
23111-67-3
Molecular Formula:
C24H38Cl4N4
Molecular Weight:
524.3973
IUPAC Name:
1-benzyl-4-[2-(4-benzylpiperazin-1-yl)ethyl]piperazine;tetrahydrochloride
InChI:
InChI=1S/C24H34N4.4ClH/c1-3-7-23(8-4-1)21-27-17-13-25(14-18-27)11-12-26-15-19-28(20-16-26)22-24-9-5-2-6-10-24;;;;/h1-10H,11-22H2;4*1H
InChI Key:
ZCRLFUNYTHKEKC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCN(CC1)CCN1CCN(CC1)Cc1ccccc1.Cl.Cl.Cl.Cl

Properties

Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.182g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
524.396g/mol
Monoisotopic Mass:
522.185g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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