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Home Sulfos 1-[4-(butan-2-yl)benzenesulfonyl]piperazine hydrochloride

1-[4-(butan-2-yl)benzenesulfonyl]piperazine hydrochloride

CAS No.:
1171234-46-0
Catalog Number:
AG019LIT
Molecular Formula:
C14H23ClN2O2S
Molecular Weight:
318.8626
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Product Description
Catalog Number:
AG019LIT
Chemical Name:
1-[4-(butan-2-yl)benzenesulfonyl]piperazine hydrochloride
CAS Number:
1171234-46-0
Molecular Formula:
C14H23ClN2O2S
Molecular Weight:
318.8626
MDL Number:
MFCD09971473
IUPAC Name:
1-(4-butan-2-ylphenyl)sulfonylpiperazine;hydrochloride
InChI:
InChI=1S/C14H22N2O2S.ClH/c1-3-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15-9-11-16;/h4-7,12,15H,3,8-11H2,1-2H3;1H
InChI Key:
AUIMCRHZJHZROW-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)S(=O)(=O)N1CCNCC1)C.Cl
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.117g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
318.86g/mol
Monoisotopic Mass:
318.117g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties