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102233-07-8 | Piperazine, 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-pyridinyl)-, hydrochloride (1:1)
CAS No: 102233-07-8 Catalog No: AG0006ZC MDL No:
Product Description
Catalog Number:
AG0006ZC
Chemical Name:
Piperazine, 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-pyridinyl)-, hydrochloride (1:1)
CAS Number:
102233-07-8
Molecular Formula:
C19H26ClN3O2
Molecular Weight:
363.8816
IUPAC Name:
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine;hydrochloride
InChI:
InChI=1S/C19H25N3O2.ClH/c1-23-17-7-6-16(15-18(17)24-2)8-10-21-11-13-22(14-12-21)19-5-3-4-9-20-19;/h3-7,9,15H,8,10-14H2,1-2H3;1H
InChI Key:
PRSGEGFWCSHQKO-UHFFFAOYSA-N
SMILES:
COc1cc(CCN2CCN(CC2)c2ccccn2)ccc1OC.Cl
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.171g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.886g/mol
Monoisotopic Mass:
363.171g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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