Cas no 737694-00-7 (Pentanoic acid,3-amino-3,4,4-trimethyl-)
737694-00-7 structure
Product Name:Pentanoic acid,3-amino-3,4,4-trimethyl-
CAS No:737694-00-7
MF:C8H17NO2
MW:159.2260825634
CID:559818
Update Time:2024-03-05
Pentanoic acid,3-amino-3,4,4-trimethyl- Chemical and Physical Properties
Names and Identifiers
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- Pentanoic acid,3-amino-3,4,4-trimethyl-
- Pentanoic acid, 3-amino-3,4,4-trimethyl-
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- Inchi： 1S/C8H17NO2/c1-7(2,3)8(4,9)5-6(10)11/h5,9H2,1-4H3,(H,10,11)
- InChI Key： JZNYSXRXXZKGKJ-UHFFFAOYSA-N
- SMILES： C(O)(=O)CC(N)(C)C(C)(C)C
Computed Properties
- Exact Mass: 159.126
- Monoisotopic Mass: 159.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 160
- 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
- Topological Polar Surface Area: 63.3A^2
Pentanoic acid,3-amino-3,4,4-trimethyl- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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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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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
737694-00-7 (Pentanoic acid,3-amino-3,4,4-trimethyl-) Related Products
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