基本信息
CAS号：
1198286-70-2
分子式：
C16H18F3NO5
分子量：
361.313035488129
名称与标识
名称
中文别名：
1-(1-苄基哌啶-4-基)-2,2,2-三氟乙酮草酸盐;
英文别名：
1-(1-Benzylpiperidin-4-yl)-2,2,2-trifluoroethanone oxalate;s11151;J-502846;Oxalic acid--1-(1-benzylpiperidin-4-yl)-2,2,2-trifluoroethan-1-one (1/1);YXB28670;DTXSID80678069;1-(1-Benzylpiperidin-4-yl)-2,2,2-trifluoro-ethanone oxalate;1-(1-benzylpiperidin-4-yl)-2,2,2-trifluoroethanone;oxalic acid;1-(1-Benzylpiperidin-4-yl)-2,2,2-trifluoroethanone oxalate 95+%;1-(1-BENZYLPIPERDIN-4-YL)-2,2,2-TRIFLUOROETHANONE OXALATE[1198286-70-2];AB90110;AKOS015949344;1198286-70-2;1-(1-Benzylpiperidin-4-yl)-2,2,2-trifluoroethanoneoxalate;AIBXILJPBZWOQH-UHFFFAOYSA-N;CS-W001331;W-205068;DB-310797;
标识符
MDL：
MFCD12026432
InChIKey：
AIBXILJPBZWOQH-UHFFFAOYSA-N
Inchi：
1S/C14H16F3NO.C2H2O4/c15-14(16,17)13(19)12-6-8-18(9-7-12)10-11-4-2-1-3-5-11;3-1(4)2(5)6/h1-5,12H,6-10H2;(H,3,4)(H,5,6)
SMILES：
FC(C(C1CCN(CC2C=CC=CC=2)CC1)=O)(F)F.OC(C(=O)O)=O
物化性质
计算特性
- 精确分子量 : 361.11370716g/mol
- 氢键供体数量 : 2
- 氢键受体数量 : 9
- 可旋转化学键数量 : 4
- 同位素质量 : 361.11370716g/mol
- 重原子数量 : 25
- 复杂度 : 374
- 同位素原子数量 : 0
- 确定原子立构中心数量 : 0
- 不确定原子立构中心数量 : 0
- 确定化学键立构中心数量 : 0
- 不确定化学键立构中心数量 : 0
- 共价键单元数量 : 2
- 拓扑分子极性表面积 : 94.9Ų
安全信息
1-(1-苄基哌啶-4-基)-2,2,2-三氟乙酮草酸盐(1198286-70-2)推荐厂家 更多厂家(2)
| 公司名称 | 手机号/电话 | 联系人 | 微信 | 询单 | |
|---|---|---|---|---|---|
| 江苏艾康生物医药研发有限公司 | 18795912720 025-66061636 | 杨情情 |  3004779232 |   | 询单 |
| 上海源叶生物科技有限公司 | 15026964105 15026964105 | 汤思磊 | 2881489226 |   | 询单 |
相关文献
- 1. Mechanical properties of anhydrous oxalic acid and oxalic acid dihydrate
Francisco Colmenero Phys. Chem. Chem. Phys. 2019 21 2673 - 2. Catalytic reactions of oxalic acid degradation with Pt/SiO2 as a catalyst in nitric acid solutions
Shuai Hao,Bin Li,Zhanyuan Liu,Wenlong Huang,Dongmei Jiang,Liangshu Xia RSC Adv. 2023 13 22758 - 3. Oxalic acid hydrogenation to glycolic acid: heterogeneous catalysts screening
Eric Schuler,Lars Grooten,Mohanreddy Kasireddy,Santosh More,N. Raveendran Shiju,Setrak K. Tanielyan,Robert L. Augustine,Gert-Jan M. Gruter Green Chem. 2023 25 2409 - 4. Insights on Pb(ii) retention and immobilization by ferrihydrite in the presence of Al(iii) and oxalic acid
Peijing Yu,Parisa A. Ariya,Fenglian Fu,Bing Tang Environ. Sci.: Nano 2022 9 2161 - 5. Insights on Pb(ii) retention and immobilization by ferrihydrite in the presence of Al(iii) and oxalic acid
Peijing Yu,Parisa A. Ariya,Fenglian Fu,Bing Tang Environ. Sci.: Nano 2022 9 2161 - 6. Enhancement of photo-Fenton catalytic activity with the assistance of oxalic acid on the kaolin–FeOOH system for the degradation of organic dyes
Chun Xiao,Su Li,Fuhao Yi,Bo Zhang,Dan Chen,Yang Zhang,Hongxin Chen,Yueli Huang RSC Adv. 2020 10 18704 - 7. Combining acid-based deep eutectic solvents and microwave irradiation for improved chestnut shell waste valorization
José González-Rivera,Angelica Mero,Elena Husanu,Andrea Mezzetta,Carlo Ferrari,Felicia D'Andrea,Emilia Bramanti,Christian S. Pomelli,Lorenzo Guazzelli Green Chem. 2021 23 10101 - 8. The theophylline–oxalic acid co-crystal system: solid phases, thermodynamics and crystallisation
Shuo Zhang,?ke C. Rasmuson CrystEngComm 2012 14 4644 - 9. Interaction of oxalic acid with dimethylamine and its atmospheric implications
Jiao Chen,Shuai Jiang,Yi-Rong Liu,Teng Huang,Chun-Yu Wang,Shou-Kui Miao,Zhong-Quan Wang,Yang Zhang,Wei Huang RSC Adv. 2017 7 6374 - 10. Cheap and fast: oxalic acid initiated CO2-based polyols synthesized by a novel preactivation approach
Shunjie Liu,Yusheng Qin,Lijun Qiao,Yuyang Miao,Xianhong Wang,Fosong Wang Polym. Chem. 2016 7 146
参考资料
Reaxys RN：
PubChem CID：
![（2S，3R，4R，5R）-4-{[（2R，3R，4S，5R，6S）-3,4,5,6-四羟基四氢-2H-吡喃-2-基]氧基}己烷-1,2,3,5,6-戊醇二水合物（非优选名称）](http://hg.y866.cn/compound/lib/scimg/cas/150/81025-03-8.png "（2S，3R，4R，5R）-4-{[（2R，3R，4S，5R，6S）-3,4,5,6-四羟基四氢-2H-吡喃-2-基]氧基}己烷-1,2,3,5,6-戊醇二水合物（非优选名称）")