Cas no 3002-20-8 (Dodecanoic acid,1,1',1''-(nitrilotri-2,1-ethanediyl) ester)
3002-20-8 structure
Product Name:Dodecanoic acid,1,1',1''-(nitrilotri-2,1-ethanediyl) ester
CAS No:3002-20-8
MF:C42H81NO6
MW:696.095654249191
CID:313179
PubChem ID:76353
Update Time:2025-04-19
Dodecanoic acid,1,1',1''-(nitrilotri-2,1-ethanediyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid,1,1',1''-(nitrilotri-2,1-ethanediyl) ester
- 2-[bis(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
- Dodecanoic acid, nitrilotri-2,1-ethanediyl ester
- Lauric triethanolamine ester
- Lauric triethanolaminetriester
- nitrilotriethane-2,1-diyl tridodecanoate
- Nitrilotriethylene trilaurate
- Triethanolamine trilaurate
- DTXSID60952430
- Nitrilotri(ethane-2,1-diyl) tridodecanoate
- 2,2',2''-nitrilotris(ethane-2,1-diyl) tridodecanoate
- EINECS 221-091-5
- Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester
- Triethanolamine laurate, AldrichCPR
- Lauric acid,compound with 2,2',2''-nitrilotriethanol(1:1)
- 3002-20-8
-
- Inchi： 1S/C42H81NO6/c1-4-7-10-13-16-19-22-25-28-31-40(44)47-37-34-43(35-38-48-41(45)32-29-26-23-20-17-14-11-8-5-2)36-39-49-42(46)33-30-27-24-21-18-15-12-9-6-3/h4-39H2,1-3H3
- InChI Key： AKXHFKRRKWIXRH-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCC)=O)CCN(CCOC(CCCCCCCCCCC)=O)CCOC(CCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 695.60673
- Monoisotopic Mass: 695.606
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 49
- Rotatable Bond Count: 42
- Complexity: 635
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 82.1A^2
- XLogP3: 15.4
Experimental Properties
- Density: 0.941
- Boiling Point: 701°Cat760mmHg
- Flash Point: 377.8°C
- Refractive Index: 1.468
- PSA: 82.14
Dodecanoic acid,1,1',1''-(nitrilotri-2,1-ethanediyl) ester Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
3002-20-8 (Dodecanoic acid,1,1',1''-(nitrilotri-2,1-ethanediyl) ester) Related Products
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