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17387-66-5 | Benzenamine, N,N-dimethyl-, 4-methylbenzenesulfonate (1:1)
CAS No: 17387-66-5 Catalog No: AG001Z9A MDL No:
Product Description
Catalog Number:
AG001Z9A
Chemical Name:
Benzenamine, N,N-dimethyl-, 4-methylbenzenesulfonate (1:1)
CAS Number:
17387-66-5
Molecular Formula:
C15H19NO3S
Molecular Weight:
293.3813
IUPAC Name:
N,N-dimethylaniline;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C8H11N.C7H8O3S/c1-9(2)8-6-4-3-5-7-8;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,1-2H3;2-5H,1H3,(H,8,9,10)
InChI Key:
CKYBWGBWHBDVDW-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1)C.Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.381g/mol
Monoisotopic Mass:
293.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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