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84109-69-3 | 1-Propanamine, N,N-diethyl-3,3-bis(phenylsulfonyl)-
CAS No: 84109-69-3 Catalog No: AG004ZL3 MDL No:
Product Description
Catalog Number:
AG004ZL3
Chemical Name:
1-Propanamine, N,N-diethyl-3,3-bis(phenylsulfonyl)-
CAS Number:
84109-69-3
Molecular Formula:
C19H25NO4S2
Molecular Weight:
395.5361
IUPAC Name:
3,3-bis(benzenesulfonyl)-N,N-diethylpropan-1-amine
InChI:
InChI=1S/C19H25NO4S2/c1-3-20(4-2)16-15-19(25(21,22)17-11-7-5-8-12-17)26(23,24)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChI Key:
UYXOOMIONIBHCU-UHFFFAOYSA-N
SMILES:
CCN(CCC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)CC
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.123g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.532g/mol
Monoisotopic Mass:
395.123g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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