AC1MHGXO
4-methylbenzenesulfonic acid;[2-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenylmethanol
Also Known As: 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate|Benzhydrol, 2-(3-piperidinopropoxy)-, methyl toluenesulfonate|Piperidinium, 1-(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)-1-methyl-, toluenesulfonate|1-(3-(2-(alpha-Hydroxybenzyl)-phenoxy)propyl)-1-methylpiperidinium toluenesulfonate|4-methylbenzenesulfonic acid; [2-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenylmethanol|Piperidinium, 1-[3-[2-(hydroxyphenylmethyl)phenoxy]propyl]-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
| Molecular Formula | C29H38NO5S+ |
|---|---|
| Molecular Weight | 512.2471 g/mol |
| LogP | 5.40942 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.2471 |
| Monoisotopic Mass | 512.2471 |
| Heavy Atoms | 36 |
| Complexity | 1173.8011 |
Chemical Identifiers
| CAS Number | 67360-98-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1(CCCCC1)CCCOC2=CC=CC=C2C(C3=CC=CC=C3)O |
Product Overview
AC1MHGXO (CAS 67360-98-9), with molecular formula C29H38NO5S+ and molecular weight 512.2471 g/mol. IUPAC: 4-methylbenzenesulfonic acid;[2-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenylmethanol.