Cas no 3002-22-0 (Octadecanoic acid,1,1',1''-(nitrilotri-2,1-ethanediyl) ester)
3002-22-0 structure
Product Name:Octadecanoic acid,1,1',1''-(nitrilotri-2,1-ethanediyl) ester
CAS No:3002-22-0
MF:C60H117NO6
MW:948.574100255966
CID:306444
PubChem ID:18146
Update Time:2025-04-19
Octadecanoic acid,1,1',1''-(nitrilotri-2,1-ethanediyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid,1,1',1''-(nitrilotri-2,1-ethanediyl) ester
- 2-[bis(2-octadecanoyloxyethyl)amino]ethyl octadecanoate
- nitrilotriethane-1,2-diyl tristearate
- TRIS(Β-STEARATOETHYL)AMINE
- EINECS 221-092-0
- Octadecanoic acid,nitrilotri-2,1-ethanediyl ester
- Stearic acid,triester with 2,2',2''-nitrilotriethanol
- Triethanolamine tristearate
- Octadecanoic acid, nitrilotri-2,1-ethanediyl ester
- TRIS(.BETA.-STEARATOETHYL)AMINE [HSDB]
- NS00047433
- HSDB 5910
- Stearic acid, triester with 2,2',2''-nitrilotriethanol
- SCHEMBL17401271
- Octadecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester
- HOM72YRP1F
- UNII-HOM72YRP1F
- Q27280032
- 3002-22-0
- TRIS(BETA-STEARATOETHYL)AMINE
- DTXSID201014620
-
- Inchi： 1S/C60H117NO6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58(62)65-55-52-61(53-56-66-59(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-57-67-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-57H2,1-3H3
- InChI Key： UJMACCGITUHEGE-UHFFFAOYSA-N
- SMILES： O(CCN(CCOC(CCCCCCCCCCCCCCCCC)=O)CCOC(CCCCCCCCCCCCCCCCC)=O)C(CCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 947.88800
- Monoisotopic Mass: 947.88809045g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 67
- Rotatable Bond Count: 60
- Complexity: 881
- 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: 25.2
- Topological Polar Surface Area: 82.1?2
Experimental Properties
- PSA: 82.14000
- LogP: 18.70250
Octadecanoic acid,1,1',1''-(nitrilotri-2,1-ethanediyl) ester Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
3002-22-0 (Octadecanoic acid,1,1',1''-(nitrilotri-2,1-ethanediyl) ester) Related Products
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