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156809-90-4

156809-90-4 | 1-Piperazineethanol, α-(4-chlorophenyl)-4-(phenylmethyl)-, hydrochloride (1:2)

CAS No: 156809-90-4 Catalog No: AG001P0K MDL No:

Product Description

Catalog Number:
AG001P0K
Chemical Name:
1-Piperazineethanol, α-(4-chlorophenyl)-4-(phenylmethyl)-, hydrochloride (1:2)
CAS Number:
156809-90-4
Molecular Formula:
C19H25Cl3N2O
Molecular Weight:
403.7736
IUPAC Name:
2-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)ethanol;dihydrochloride
InChI:
InChI=1S/C19H23ClN2O.2ClH/c20-18-8-6-17(7-9-18)19(23)15-22-12-10-21(11-13-22)14-16-4-2-1-3-5-16;;/h1-9,19,23H,10-15H2;2*1H
InChI Key:
DGHDCEDRQOJQII-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(CN1CCN(CC1)Cc1ccccc1)O.Cl.Cl

Properties

Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.103g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
403.772g/mol
Monoisotopic Mass:
402.103g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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