Cas no 62749-58-0 (Nonanedioic acid, 2-[(3-hydroxyoctyl)amino]-, dimethyl ester)
![Nonanedioic acid, 2-[(3-hydroxyoctyl)amino]-, dimethyl ester structure](https://ossimg.kuujia.com/scimg/63000/62749-58-0x500.png)
62749-58-0 structure
Product Name:Nonanedioic acid, 2-[(3-hydroxyoctyl)amino]-, dimethyl ester
CAS No:62749-58-0
MF:C19H37NO5
MW:359.500786542892
CID:433258
PubChem ID:71383191
Update Time:2025-04-19
Nonanedioic acid, 2-[(3-hydroxyoctyl)amino]-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- dimethyl 2-(3-hydroxyoctylamino)nonanedioate
- Nonanedioic acid, 2-[(3-hydroxyoctyl)amino]-, dimethyl ester
- 62749-58-0
- DTXSID50805527
- Dimethyl 2-[(3-hydroxyoctyl)amino]nonanedioate
-
- Inchi： 1S/C19H37NO5/c1-4-5-8-11-16(21)14-15-20-17(19(23)25-3)12-9-6-7-10-13-18(22)24-2/h16-17,20-21H,4-15H2,1-3H3
- InChI Key： CXOGGVNWRBJTGL-UHFFFAOYSA-N
- SMILES： OC(CCCCC)CCNC(C(=O)OC)CCCCCCC(=O)OC
Computed Properties
- Exact Mass: 359.26731
- Monoisotopic Mass: 359.26717328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 18
- Complexity: 349
- 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: 3.8
- Topological Polar Surface Area: 84.9?2
Experimental Properties
- PSA: 84.86
Nonanedioic acid, 2-[(3-hydroxyoctyl)amino]-, dimethyl ester Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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