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198767-56-5

198767-56-5 | 1-Piperazineethanol, 4-phenyl-α-(1-pyrrolidinylmethyl)-, hydrochloride (1:2)

CAS No: 198767-56-5 Catalog No: AG002BPU MDL No:

Product Description

Catalog Number:
AG002BPU
Chemical Name:
1-Piperazineethanol, 4-phenyl-α-(1-pyrrolidinylmethyl)-, hydrochloride (1:2)
CAS Number:
198767-56-5
Molecular Formula:
C17H29Cl2N3O
Molecular Weight:
362.3377
IUPAC Name:
1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride
InChI:
InChI=1S/C17H27N3O.2ClH/c21-17(14-18-8-4-5-9-18)15-19-10-12-20(13-11-19)16-6-2-1-3-7-16;;/h1-3,6-7,17,21H,4-5,8-15H2;2*1H
InChI Key:
ZBQWBGPJDXJYJO-UHFFFAOYSA-N
SMILES:
OC(CN1CCCC1)CN1CCN(CC1)c1ccccc1.Cl.Cl

Properties

Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.169g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
362.339g/mol
Monoisotopic Mass:
361.169g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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