Cas no 13412-15-2 (Octadecanoic acid,1,1'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl] ester)
13412-15-2 structure
Product Name:Octadecanoic acid,1,1'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl] ester
CAS No:13412-15-2
MF:C42H83NO5
MW:682.112134218216
CID:119558
PubChem ID:3022391
Update Time:2025-04-18
Octadecanoic acid,1,1'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl] ester Chemical and Physical Properties
Names and Identifiers
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- Octadecanoic acid,1,1'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl] ester
- triethanolamine distearate ester
- Octadecanoicacid, [(2-hydroxyethyl)imino]di-2,1-ethanediyl ester (9CI)
- Stearic acid, (2-hydroxyethylimino)diethyleneester (6CI)
- Stearic acid, diester with 2,2',2''-nitrilotriethanol (7CI,8CI)
- Ethanol, 2,2',2''-nitrilotri-, distearate (ester) (8CI)
- N-(2-Hydroxyethyl)-N,N-bis(b-stearatoethyl)amine
- Triethanolamine distearate
- Octadecanoic acid,[(2-hydroxyethyl)imino]di-2,1-ethanediyl ester
- 13412-15-2
- SCHEMBL15650781
- DTXSID101149424
- Octadecanoic acid, 1,1'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl] ester
-
- Inchi: 1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)47-39-36-43(35-38-44)37-40-48-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44H,3-40H2,1-2H3
- InChI Key: FMTQAFNXXHDQNT-UHFFFAOYSA-N
- SMILES: O(CCN(CCO)CCOC(CCCCCCCCCCCCCCCCC)=O)C(CCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 681.62749
- Monoisotopic Mass: 681.62712475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 48
- Rotatable Bond Count: 42
- Complexity: 606
- 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
- XLogP3: 16.2
- Topological Polar Surface Area: 76.1?2
Experimental Properties
- PSA: 76.07
Octadecanoic acid,1,1'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl] ester Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
13412-15-2 (Octadecanoic acid,1,1'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl] ester) Related Products
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