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19909-38-7 | Piperazine, 1-[2-butoxy-2-(4-cyclopentylphenyl)ethyl]-4-methyl-, hydrochloride (1:2)
CAS No: 19909-38-7 Catalog No: AG002BW1 MDL No:
Product Description
Catalog Number:
AG002BW1
Chemical Name:
Piperazine, 1-[2-butoxy-2-(4-cyclopentylphenyl)ethyl]-4-methyl-, hydrochloride (1:2)
CAS Number:
19909-38-7
Molecular Formula:
C22H38Cl2N2O
Molecular Weight:
417.4559
IUPAC Name:
1-[1-butan-2-yloxy-2-(4-cyclopentylphenyl)ethyl]-4-methylpiperazine;dihydrochloride
InChI:
InChI=1S/C22H36N2O.2ClH/c1-4-18(2)25-22(24-15-13-23(3)14-16-24)17-19-9-11-21(12-10-19)20-7-5-6-8-20;;/h9-12,18,20,22H,4-8,13-17H2,1-3H3;2*1H
InChI Key:
VYJOSXMDKZOLCE-UHFFFAOYSA-N
SMILES:
CCCCOC(c1ccc(cc1)C1CCCC1)CN1CCN(CC1)C.Cl.Cl
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.236g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
417.459g/mol
Monoisotopic Mass:
416.236g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
15.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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