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178624-90-3 | Piperazine, 3-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS No: 178624-90-3 Catalog No: AG00266Q MDL No:MFCD06795933
Product Description
Catalog Number:
AG00266Q
Chemical Name:
Piperazine, 3-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
178624-90-3
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
MDL Number:
MFCD06795933
IUPAC Name:
3-methyl-1-(4-methylphenyl)sulfonylpiperazine
InChI:
InChI=1S/C12H18N2O2S/c1-10-3-5-12(6-4-10)17(15,16)14-8-7-13-11(2)9-14/h3-6,11,13H,7-9H2,1-2H3
InChI Key:
KVFXTJXVCJULLQ-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.109g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.348g/mol
Monoisotopic Mass:
254.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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