Cas no 29340-81-6 (102-71-6)
102-71-6 structure
Product Name:102-71-6
CAS No:29340-81-6
MF:C12H23NO10
MW:341.311724901199
CID:269445
PubChem ID:161628
Update Time:2025-04-19
102-71-6 Chemical and Physical Properties
Names and Identifiers
-
- 2-[bis(2-hydroxyethyl)amino]ethanol,2-hydroxypropane-1,2,3-tricarboxylic acid
- 2,2',2''-nitrilotriethanol 2-hydroxypropane-1,2,3-tricarboxylate (1:1)
- 2,2',2''-Nitrilotriethanol citrate
- Citric acid triethanolamine salt
- W-110753
- Ethanol, 2,2',2''-nitrilotris-, 2-hydroxy-1,2,3-propanetricarboxylate (salt)
- EINECS 260-597-0
- 57155-85-8
- triethanolamine citrate
- SCHEMBL5474506
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
- NS00083765
- EINECS 249-576-7
- 2,2',2''-Nitrilotris(ethanol) citrate (1:1)
- Citric acid, triethanolamine salt
- Ethanol, 2,2',2''-nitrilotris-, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)
- 29340-81-6
- 102-71-6
-
- Inchi： 1S/C6H15NO3.C6H8O7/c8-4-1-7(2-5-9)3-6-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-10H,1-6H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
- InChI Key： QHXBZNOJMIQGER-UHFFFAOYSA-N
- SMILES： OC(C(=O)O)(CC(=O)O)CC(=O)O.OCCN(CCO)CCO
Computed Properties
- Exact Mass: 341.13219
- Monoisotopic Mass: 341.132
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 23
- Rotatable Bond Count: 11
- Complexity: 283
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 196A^2
Experimental Properties
- Density: 0.808g/cm3
- Melting Point: 20.5oC
- Boiling Point: 157.6oC at 760mmHg
- Flash Point: 30.6oC
- PSA: 196.06
102-71-6 Related Literature
-
3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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