Cas no 93942-58-6 (Nonanedioic acid,2-(3-amino-1-cyclohexyl-1-hydroxypropyl)-, diethyl ester (9CI))
93942-58-6 structure
Product Name:Nonanedioic acid,2-(3-amino-1-cyclohexyl-1-hydroxypropyl)-, diethyl ester (9CI)
CAS No:93942-58-6
MF:C22H41NO5
MW:399.564647436142
CID:806495
PubChem ID:3023030
Update Time:2025-04-19
Nonanedioic acid,2-(3-amino-1-cyclohexyl-1-hydroxypropyl)-, diethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Nonanedioic acid,2-(3-amino-1-cyclohexyl-1-hydroxypropyl)-, diethyl ester (9CI)
- diethyl 2-(3-amino-1-cyclohexyl-1-hydroxypropyl)nonanedioate
- Ethyl 5-amino-3-C-cyclohexyl-2,4,5-trideoxy-2-(7-ethoxy-7-oxoheptyl)pentonate
- EINECS 300-612-0
- NS00065691
- 93942-58-6
- DTXSID20916937
-
- Inchi： 1S/C22H41NO5/c1-3-27-20(24)15-11-6-5-10-14-19(21(25)28-4-2)22(26,16-17-23)18-12-8-7-9-13-18/h18-19,26H,3-17,23H2,1-2H3
- InChI Key： CDYSXCIYAMJFMJ-UHFFFAOYSA-N
- SMILES： OC(CCN)(C(C(=O)OCC)CCCCCCC(=O)OCC)C1CCCCC1
Computed Properties
- Exact Mass: 399.298
- Monoisotopic Mass: 399.298
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 16
- Complexity: 450
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 98.8?2
Experimental Properties
- Density: 1.053
- Boiling Point: 515.5°Cat760mmHg
- Flash Point: 265.6°C
- Refractive Index: 1.491
Nonanedioic acid,2-(3-amino-1-cyclohexyl-1-hydroxypropyl)-, diethyl ester (9CI) Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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