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88103-87-1 | Benzenamine, N,N-dimethyl-4-[[(4-methylphenyl)sulfonyl]phenylmethyl]-
CAS No: 88103-87-1 Catalog No: AG004G39 MDL No:
Product Description
Catalog Number:
AG004G39
Chemical Name:
Benzenamine, N,N-dimethyl-4-[[(4-methylphenyl)sulfonyl]phenylmethyl]-
CAS Number:
88103-87-1
Molecular Formula:
C22H23NO2S
Molecular Weight:
365.4885
IUPAC Name:
N,N-dimethyl-4-[(4-methylphenyl)sulfonyl-phenylmethyl]aniline
InChI:
InChI=1S/C22H23NO2S/c1-17-9-15-21(16-10-17)26(24,25)22(18-7-5-4-6-8-18)19-11-13-20(14-12-19)23(2)3/h4-16,22H,1-3H3
InChI Key:
VBNDOZZRDYJMMJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)C(c1ccc(cc1)N(C)C)c1ccccc1
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.145g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.491g/mol
Monoisotopic Mass:
365.145g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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