Cas no 286367-62-2 (Butanoic-2-13C acid,sodium salt (9CI))
286367-62-2 structure
Product Name:Butanoic-2-13C acid,sodium salt (9CI)
CAS No:286367-62-2
MF:C4H7NaO2
MW:111.079607248306
CID:248586
PubChem ID:24872063
Update Time:2025-04-19
Butanoic-2-13C acid,sodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butanoic-2-13C acid,sodium salt (9CI)
- Sodium butyrate-2-13C
- DTXSID20635676
- Sodium (2-~13~C)butanoate
- sodiumbutyrate-2-13c
- 286367-62-2
- SCHEMBL1331447
- sodium;(213C)butanoate
-
- MDL： MFCD00190361
- Inchi： 1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1/i3+1;
- InChI Key： MFBOGIVSZKQAPD-FJUFCODESA-M
- SMILES： [Na+].[O-]C([13CH2]CC)=O
Computed Properties
- Exact Mass: 111.03772858g/mol
- Monoisotopic Mass: 111.03772858g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 53.7
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 40.1?2
Experimental Properties
- Color/Form: Solids
- Melting Point: 250-253?°C (lit.)
- Solubility: Not determined
Butanoic-2-13C acid,sodium salt (9CI) Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： 26
-
Hazardous Material Identification：
Butanoic-2-13C acid,sodium salt (9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
286367-62-2 (Butanoic-2-13C acid,sodium salt (9CI)) Related Products
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