Cas no 6341-49-7 (2-amino-2-ethylheptanoic Acid)
2-amino-2-ethylheptanoic Acid structure
Product Name:2-amino-2-ethylheptanoic Acid
CAS No:6341-49-7
MF:C9H19NO2
MW:173.25266289711
CID:1651696
PubChem ID:240185
Update Time:2025-04-21
2-amino-2-ethylheptanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-amino-2-ethylheptanoic Acid
- NSC46237
- AC1L64MN
- AC1Q5S26
- CTK5B9067
- AR-1D8168
- NSC-46237
- AG-K-95661
- NSC46237; AC1L64MN; AC1Q5S26; CTK5B9067; AR-1D8168; NSC-46237; AG-K-95661;
- SCHEMBL8842963
- 2-ethyl-2-amino-heptanoic acid
- DTXSID20286506
- 6341-49-7
-
- Inchi： 1S/C9H19NO2/c1-3-5-6-7-9(10,4-2)8(11)12/h3-7,10H2,1-2H3,(H,11,12)
- InChI Key： WSQOQDFAMHVJSJ-UHFFFAOYSA-N
- SMILES： OC(C(CC)(CCCCC)N)=O
Computed Properties
- Exact Mass: 173.14167
- Monoisotopic Mass: 173.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 148
- 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: -0.3
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- Density: 0.987
- Boiling Point: 278°C at 760 mmHg
- Flash Point: 121.9°C
- Refractive Index: 1.468
- PSA: 63.32
- LogP: 2.45910
2-amino-2-ethylheptanoic Acid Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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