Cas no 1216459-54-9 (Ibuprofen-13C6)
Ibuprofen-13C6 structure
Product Name:Ibuprofen-13C6
CAS No:1216459-54-9
MF:13C6C7H18O2
MW:212.23675
CID:1073145
PubChem ID:329770488
Update Time:2024-11-04
Ibuprofen-13C6 Chemical and Physical Properties
Names and Identifiers
-
- [U-Ring-13C6]-Ibuprofen
- Ibuprofen-13C6
- 2-[4-(2-methylpropyl)phenyl]propanoic acid
- Ibuprofen-(ring-13C6)
- 2-[4-(2-Methylpropyl)(~13~C_6_)phenyl]propanoic acid
- HY-78131S3
- DTXSID50675969
- 2-[4-(2-methylpropyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]propanoic acid
- 15687-27-1 (Unlabeled)
- 2-(4-Isobutylphenyl)propionic Acid-13C6;
- 1216459-54-9
- CS-0643547
- G77069
- Ibuprofen-(ring-13C6), analytical standard
- 2-(4-Isobutylphenyl)propionic Acid-13C6
-
- MDL： MFCD28053509
- Inchi： InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i4+1,5+1,6+1,7+1,11+1,12+1
- InChI Key： HEFNNWSXXWATRW-HNHUTNRMSA-N
- SMILES： CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Computed Properties
- Exact Mass: 212.15080882g/mol
- Monoisotopic Mass: 212.15080882g/mol
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 203
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Melting Point: 69-72°C
- Solubility: Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly)
Ibuprofen-13C6 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | I140003-1mg |
Ibuprofen-13C6 |
1216459-54-9 | 1mg |
$ 265.00 | 2023-09-07 | ||
| TRC | I140003-10mg |
Ibuprofen-13C6 |
1216459-54-9 | 10mg |
$ 2101.00 | 2023-09-07 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 96052-5MG |
Ibuprofen-( |
1216459-54-9 | analytical standard | 5MG |
15082.7 | 2021-05-13 | |
| A2B Chem LLC | AX32840-1mg |
Ibuprofen-13C6 |
1216459-54-9 | 1mg |
$698.00 | 2024-04-20 |
Ibuprofen-13C6 Related Literature
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
1216459-54-9 (Ibuprofen-13C6) Related Products
- 3508-94-9(3-Methyl-2-phenylbutanoic Acid)
- 635-51-8(2-phenylbutanedioic acid)
- 7782-24-3((2S)-2-phenylpropanoic acid)
- 4036-30-0((S)-(+)-Phenylsuccinic acid)
- 938-94-3(2-(p-Tolyl)propionic Acid)
- 7782-26-5((R)-(-)-2-Phenylpropionic acid)
- 90-27-7(2-Phenylbutyric acid)
- 121662-14-4(Ibuprofen-d)
- 492-37-5(2-Phenylpropionic acid)
- 15687-27-1(Ibuprofen)
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