Cas no 5782-80-9 (2-aminooctadecanoic Acid)
2-aminooctadecanoic Acid structure
Product Name:2-aminooctadecanoic Acid
CAS No:5782-80-9
MF:C18H37NO2
MW:299.491885900497
CID:1606998
PubChem ID:409323
Update Time:2025-04-21
2-aminooctadecanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-aminooctadecanoic Acid
- SCHEMBL515866
- DTXSID20328319
- LMFA01100009
- 2-amino-octadecanoic acid
- aminostearic acid
- 5782-80-9
-
- Inchi： 1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16,19H2,1H3,(H,20,21)
- InChI Key： XRKBQVGBWJWJJJ-UHFFFAOYSA-N
- SMILES： OC(C(CCCCCCCCCCCCCCCC)N)=O
Computed Properties
- Exact Mass: 299.282429423g/mol
- Monoisotopic Mass: 299.282429423g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 16
- Complexity: 231
- 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: 5
- Topological Polar Surface Area: 63.3?2
2-aminooctadecanoic Acid Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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