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23111-79-7 | Piperazinium, 4-cyclohexyl-1,4-dimethyl-1-(1-methyl-2-phenylethyl)-, bromide (1:2)
CAS No: 23111-79-7 Catalog No: AG002M7Z MDL No:
Product Description
Catalog Number:
AG002M7Z
Chemical Name:
Piperazinium, 4-cyclohexyl-1,4-dimethyl-1-(1-methyl-2-phenylethyl)-, bromide (1:2)
CAS Number:
23111-79-7
Molecular Formula:
C21H36Br2N2
Molecular Weight:
476.3319
IUPAC Name:
1-cyclohexyl-1,4-dimethyl-4-(1-phenylpropan-2-yl)piperazine-1,4-diium;dibromide
InChI:
InChI=1S/C21H36N2.2BrH/c1-19(18-20-10-6-4-7-11-20)22(2)14-16-23(3,17-15-22)21-12-8-5-9-13-21;;/h4,6-7,10-11,19,21H,5,8-9,12-18H2,1-3H3;2*1H/q+2;;/p-2
InChI Key:
VYSCPWKAIHUUOX-UHFFFAOYSA-L
SMILES:
CC([N+]1(C)CC[N+](CC1)(C)C1CCCCC1)Cc1ccccc1.[Br-].[Br-]
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.341g/mol
Monoisotopic Mass:
474.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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