HIT ID: HIT212717315
Cas No: 5819-65-8
分子式: C15H25NO3S
分子量: 299.43
常用名: m-Toluidine, 4-(heptyloxy)-alpha-(methylsulfonyl)-
常用名: m-Toluidine, 4-(heptyloxy)-alpha-(methylsulfonyl)-
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 2.2466984
IUPAC: 4-(heptyloxy)-3-(methanesulfonylmethyl)aniline
IUPAC: 4-(heptyloxy)-3-(methanesulfonylmethyl)aniline
SMILES: CCCCCCCOc1ccc(N)cc1CS(C)(=O)=O
SMILES: CCCCCCCOc1ccc(N)cc1CS(C)(=O)=O
InChI key: XJGZNQXXCXXZJG-UHFFFAOYSA-N