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13073-96-6 | Ethanol, 2-[2-[4-(diphenylmethyl)-1-piperazinyl]ethoxy]-, hydrochloride (1:2)
CAS No: 13073-96-6 Catalog No: AG000UWA MDL No:
Product Description
Catalog Number:
AG000UWA
Chemical Name:
Ethanol, 2-[2-[4-(diphenylmethyl)-1-piperazinyl]ethoxy]-, hydrochloride (1:2)
CAS Number:
13073-96-6
Molecular Formula:
C21H30Cl2N2O2
Molecular Weight:
413.3811
IUPAC Name:
2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]ethanol;dihydrochloride
InChI:
InChI=1S/C21H28N2O2.2ClH/c24-16-18-25-17-15-22-11-13-23(14-12-22)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20;;/h1-10,21,24H,11-18H2;2*1H
InChI Key:
RBSDUJACXBVDDN-UHFFFAOYSA-N
SMILES:
OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccccc1.Cl.Cl
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.168g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
413.383g/mol
Monoisotopic Mass:
412.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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