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Amb10069311

Duplicate ID
CAS Number 1000018-38-1
Molecule Name 3-(HEXAMETHYLENIMIN-1-YL)-4-METHYLSULFONYLANILINE
3-Azepan-1-yl-4-(methylsulphonyl)aniline
SmilesNc1ccc(c(c1)N1CCCCCC1)S(=O)(=O)C
InchiKeyABWKOIXHQDAFHG-UHFFFAOYSA-N
InChi InChI=1S/C13H20N2O2S/c1-18(16,17)13-7-6-11(14)10-12(13)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9,14H2,1H3
Formula C13H20N2O2S
Molecular weight 268.375
Rings 2
logP 3.7797
PSA 71.78
MR 78.1964
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