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27588-46-1 | 1-Piperazinepropanol, α-(4-methoxyphenyl)-4-(2-methoxy-2-phenylethyl)-, hydrochloride (1:2)
CAS No: 27588-46-1 Catalog No: AG002U5J MDL No:
Product Description
Catalog Number:
AG002U5J
Chemical Name:
1-Piperazinepropanol, α-(4-methoxyphenyl)-4-(2-methoxy-2-phenylethyl)-, hydrochloride (1:2)
CAS Number:
27588-46-1
Molecular Formula:
C23H34Cl2N2O3
Molecular Weight:
457.4337
IUPAC Name:
1-(4-methoxyphenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-ol;dihydrochloride
InChI:
InChI=1S/C23H32N2O3.2ClH/c1-27-21-10-8-19(9-11-21)22(26)12-13-24-14-16-25(17-15-24)18-23(28-2)20-6-4-3-5-7-20;;/h3-11,22-23,26H,12-18H2,1-2H3;2*1H
InChI Key:
UGSXXHAJCIIMGK-UHFFFAOYSA-N
SMILES:
COC(c1ccccc1)CN1CCN(CC1)CCC(c1ccc(cc1)OC)O.Cl.Cl
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.195g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
457.436g/mol
Monoisotopic Mass:
456.195g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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