Cas no 93820-48-5 (isononanoic acid, compound with cyclohexylamine (1:1))
93820-48-5 structure
Product Name:isononanoic acid, compound with cyclohexylamine (1:1)
CAS No:93820-48-5
MF:C15H31NO2
MW:257.412144899368
CID:1981142
PubChem ID:44148131
Update Time:2025-04-21
isononanoic acid, compound with cyclohexylamine (1:1) Chemical and Physical Properties
Names and Identifiers
-
- isononanoic acid, compound with cyclohexylamine (1:1)
- cyclohexanamine,7-methyloctanoic acid
- 93820-48-5
- EINECS 298-628-5
- 7-Methyloctanoic acid--cyclohexanamine (1/1)
- DTXSID10917731
-
- Inchi： 1S/C9H18O2.C6H13N/c1-8(2)6-4-3-5-7-9(10)11;7-6-4-2-1-3-5-6/h8H,3-7H2,1-2H3,(H,10,11);6H,1-5,7H2
- InChI Key： SFYFKAODZBYMSL-UHFFFAOYSA-N
- SMILES： OC(CCCCCC(C)C)=O.NC1CCCCC1
Computed Properties
- Exact Mass: 257.235
- Monoisotopic Mass: 257.235
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 154
- 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
- Topological Polar Surface Area: 63.3A^2
isononanoic acid, compound with cyclohexylamine (1:1) Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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