HIT ID: HIT212717291
Cas No: 5819-66-9
分子式: C16H27NO3S
分子量: 313.46
常用名: m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy-
常用名: m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy-
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 2.691267
IUPAC: 3-(methanesulfonylmethyl)-4-(octyloxy)aniline
IUPAC: 3-(methanesulfonylmethyl)-4-(octyloxy)aniline
SMILES: CCCCCCCCOc1ccc(N)cc1CS(C)(=O)=O
SMILES: CCCCCCCCOc1ccc(N)cc1CS(C)(=O)=O
InChI key: HQDQUGNEIKZWRM-UHFFFAOYSA-N