Cas no 773817-52-0 (Cyclohexanecarboxylicacid, 4-amino-2-ethyl-, ethyl ester, (1R,2S,4S)-rel-)
773817-52-0 structure
Product Name:Cyclohexanecarboxylicacid, 4-amino-2-ethyl-, ethyl ester, (1R,2S,4S)-rel-
CAS No:773817-52-0
MF:C11H21NO2
MW:199.28994345665
CID:552176
Update Time:2022-09-22
Cyclohexanecarboxylicacid, 4-amino-2-ethyl-, ethyl ester, (1R,2S,4S)-rel- Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanecarboxylicacid, 4-amino-2-ethyl-, ethyl ester, (1R,2S,4S)-rel-
- Cyclohexanecarboxylicacid, 4-amino-2-ethyl-, ethyl ester, (1a,2a,4a)- (9CI)
- Cyclohexanecarboxylic acid, 4-amino-2-ethyl-, ethyl ester, (1alpha,2alpha,4alpha)- (9CI)
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- Inchi： 1S/C11H21NO2/c1-3-8-7-9(12)5-6-10(8)11(13)14-4-2/h8-10H,3-7,12H2,1-2H3/t8-,9-,10+/m1/s1
- InChI Key： MGUZPFDOZUIYMT-BBBLOLIVSA-N
- SMILES： [C@H]1(C(OCC)=O)CC[C@@H](N)C[C@H]1CC
Computed Properties
- Exact Mass: 199.157
- Monoisotopic Mass: 199.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 194
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.3A^2
Cyclohexanecarboxylicacid, 4-amino-2-ethyl-, ethyl ester, (1R,2S,4S)-rel- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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