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23111-71-9 | Piperazinium, 1,4-bis(1-methyl-2-phenylethyl)-1-(2-propen-1-yl)-, bromide (1:1)
CAS No: 23111-71-9 Catalog No: AG002M81 MDL No:
Product Description
Catalog Number:
AG002M81
Chemical Name:
Piperazinium, 1,4-bis(1-methyl-2-phenylethyl)-1-(2-propen-1-yl)-, bromide (1:1)
CAS Number:
23111-71-9
Molecular Formula:
C25H35BrN2
Molecular Weight:
443.4628
IUPAC Name:
1,4-bis(1-phenylpropan-2-yl)-1-prop-2-enylpiperazin-1-ium;bromide
InChI:
InChI=1S/C25H35N2.BrH/c1-4-17-27(23(3)21-25-13-9-6-10-14-25)18-15-26(16-19-27)22(2)20-24-11-7-5-8-12-24;/h4-14,22-23H,1,15-21H2,2-3H3;1H/q+1;/p-1
InChI Key:
YZJZOCOFEHOSRW-UHFFFAOYSA-M
SMILES:
C=CC[N+]1(CCN(CC1)C(Cc1ccccc1)C)C(Cc1ccccc1)C.[Br-]
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.198g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.473g/mol
Monoisotopic Mass:
442.198g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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