Basic information
- CAS
92531-11-8- Standard SMILES
CC(=O)N1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1- InChIKey
WXRDAWFHZLGCQP-UHFFFAOYSA-N- Molecular formula
- C14H19NO4S
- Average molar mass
- 297.37 g/mol
Names & identifiers
- Preferred name
- 1-Acetylpiperidin-4-yl 4-methylbenzenesulfonate
- IUPAC
- (1-acetylpiperidin-4-yl) 4-methylbenzenesulfonate
- English name
- Toluene-4-sulfonic acid 1-acetyl-piperidin-4-yl ester
- Molecular formula
- C14H19NO4S
- Molecular weight
- 297.37
Names & synonyms
1-Acetylpiperidin-4-yl 4-methylbenzenesulfonate92531-11-8Toluene-4-sulfonic acid 1-acetyl-piperidin-4-yl ester(1-acetylpiperidin-4-yl) 4-methylbenzenesulfonateMFCD21097898SCHEMBL7944945AKOS024462984DB-2571111-Acetylpiperidin-4-yl4-methylbenzenesulfonate(1-acetyl-4-piperidyl) 4-methylbenzenesulfonate1-4-(4-Methylphenyl)sulfonyloxy-1-piperidinylethanoneEthanone, 1-[4-[[(4-methylphenyl)sulfonyl]oxy]-1-piperidinyl]-
Database identifiers
- CAS
92531-11-8
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Boiling point
- 483 · 483.0±38.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- -2.1 · -2.10±0.40(Predicted)
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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