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23111-70-8 | Piperazinium, 1,4-bis(1-methyl-2-phenylethyl)-1-(phenylmethyl)-, bromide (1:1)
CAS No: 23111-70-8 Catalog No: AG002M82 MDL No:
Product Description
Catalog Number:
AG002M82
Chemical Name:
Piperazinium, 1,4-bis(1-methyl-2-phenylethyl)-1-(phenylmethyl)-, bromide (1:1)
CAS Number:
23111-70-8
Molecular Formula:
C29H37BrN2
Molecular Weight:
493.5215
IUPAC Name:
1-benzyl-1,4-bis(1-phenylpropan-2-yl)piperazin-1-ium;bromide
InChI:
InChI=1S/C29H37N2.BrH/c1-25(22-27-12-6-3-7-13-27)30-18-20-31(21-19-30,24-29-16-10-5-11-17-29)26(2)23-28-14-8-4-9-15-28;/h3-17,25-26H,18-24H2,1-2H3;1H/q+1;/p-1
InChI Key:
KCTRIOPYOHOKFL-UHFFFAOYSA-M
SMILES:
CC(N1CC[N+](CC1)(Cc1ccccc1)C(Cc1ccccc1)C)Cc1ccccc1.[Br-]
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.214g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
493.533g/mol
Monoisotopic Mass:
492.214g/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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