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23111-77-5 | Piperazinium, 1,4-bis(1-methyl-2-phenylethyl)-1,4-di-2-propen-1-yl-, bromide (1:2)
CAS No: 23111-77-5 Catalog No: AG002M80 MDL No:
Product Description
Catalog Number:
AG002M80
Chemical Name:
Piperazinium, 1,4-bis(1-methyl-2-phenylethyl)-1,4-di-2-propen-1-yl-, bromide (1:2)
CAS Number:
23111-77-5
Molecular Formula:
C28H40Br2N2
Molecular Weight:
564.4386
IUPAC Name:
1,4-bis(1-phenylpropan-2-yl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium;dibromide
InChI:
InChI=1S/C28H40N2.2BrH/c1-5-17-29(25(3)23-27-13-9-7-10-14-27)19-21-30(18-6-2,22-20-29)26(4)24-28-15-11-8-12-16-28;;/h5-16,25-26H,1-2,17-24H2,3-4H3;2*1H/q+2;;/p-2
InChI Key:
YDESGOWCEPCZIA-UHFFFAOYSA-L
SMILES:
C=CC[N+]1(CC[N+](CC1)(CC=C)C(Cc1ccccc1)C)C(Cc1ccccc1)C.[Br-].[Br-]
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
564.154g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
564.45g/mol
Monoisotopic Mass:
562.156g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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