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27698-84-6 | 1-Piperazinepropanol, 4-(2-ethoxy-2-phenylethyl)-α-(4-methoxyphenyl)-, hydrochloride (1:2)
CAS No: 27698-84-6 Catalog No: AG002UHN MDL No:
Product Description
Catalog Number:
AG002UHN
Chemical Name:
1-Piperazinepropanol, 4-(2-ethoxy-2-phenylethyl)-α-(4-methoxyphenyl)-, hydrochloride (1:2)
CAS Number:
27698-84-6
Molecular Formula:
C24H36Cl2N2O3
Molecular Weight:
471.4602
IUPAC Name:
3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methoxyphenyl)propan-1-ol;dihydrochloride
InChI:
InChI=1S/C24H34N2O3.2ClH/c1-3-29-24(19-20-7-5-4-6-8-20)26-17-15-25(16-18-26)14-13-23(27)21-9-11-22(28-2)12-10-21;;/h4-12,23-24,27H,3,13-19H2,1-2H3;2*1H
InChI Key:
QNDSQERIZNCNBR-UHFFFAOYSA-N
SMILES:
CCOC(c1ccccc1)CN1CCN(CC1)CCC(c1ccc(cc1)OC)O.Cl.Cl
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.21g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
471.463g/mol
Monoisotopic Mass:
470.21g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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