Cas no 18719-04-5 (3,6,9,12-Tetraazatetradecanedioicacid, 3,6,9,12-tetrakis(carboxymethyl)-, sodium salt (1:6))
18719-04-5 structure
Product Name:3,6,9,12-Tetraazatetradecanedioicacid, 3,6,9,12-tetrakis(carboxymethyl)-, sodium salt (1:6)
CAS No:18719-04-5
MF:C18H24N4Na6O12
MW:626.341390609741
CID:198881
PubChem ID:53384606
Update Time:2025-04-19
3,6,9,12-Tetraazatetradecanedioicacid, 3,6,9,12-tetrakis(carboxymethyl)-, sodium salt (1:6) Chemical and Physical Properties
Names and Identifiers
-
- 3,6,9,12-Tetraazatetradecanedioicacid, 3,6,9,12-tetrakis(carboxymethyl)-, sodium salt (1:6)
- TRIETHYLENETETRAMINE-N,N,N',N'',N''',N'''-HEXAACETIC ACID HEXASODIUM SALT
- 1,4,7,10-Tetraazadecane-1,1,4,7,10,10-hexaacetic acid hexasodium salt
- Triethylenetetraminehexaacetic acid sodium salt
- Triethylenetetraminehexaaceticacidhexasodium
- 3,6,9,12-Tetraazatetradecanedioic acid,3,6,9,12-tetrakis(carboxyMethyl)-, sodiuM salt(1:6)
- 18719-04-5
- sodium 2,5,8,11-tetrakis(carboxylatomethyl)-2,5,8,11-tetraazadodecane-1,12-dicarboxylate
- Triethylenetetramine-n,n,n,n,n,n-hexaaceticacidhexasodiumsalt
- Triethylenetetramine-N,N,N',N'',N''',N'''-hexaacetic acid, hexasodium salt
-
- Inchi： 1S/C18H30N4O12.6Na/c23-13(24)7-19(3-5-21(9-15(27)28)10-16(29)30)1-2-20(8-14(25)26)4-6-22(11-17(31)32)12-18(33)34;;;;;;/h1-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34);;;;;;/q;6*+1/p-6
- InChI Key： XLHKARPAGGKRFC-UHFFFAOYSA-H
- SMILES： [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-])=O
Computed Properties
- Exact Mass: 626.07800
- Monoisotopic Mass: 626.0776879g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 40
- Rotatable Bond Count: 15
- Complexity: 607
- Covalently-Bonded Unit Count: 7
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 254?2
Experimental Properties
- PSA: 253.74000
- LogP: -11.30620
3,6,9,12-Tetraazatetradecanedioicacid, 3,6,9,12-tetrakis(carboxymethyl)-, sodium salt (1:6) Related Literature
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1. 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
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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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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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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