Cas no 72912-01-7 (1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diaceticacid)
72912-01-7 structure
Product Name:1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diaceticacid
CAS No:72912-01-7
MF:C16H30N2O8
MW:378.418005466461
CID:581230
PubChem ID:658431
Update Time:2025-04-19
1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diaceticacid Chemical and Physical Properties
Names and Identifiers
-
- 1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diaceticacid
- 7,16-bis(carboxymethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
- N,N -Dicarboxymethyldiaza-18-crown-6
- N,N'-DICARBOXYMETHYLDIAZA-18-CROWN-6
- 2,2'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)diacetic acid
- 72912-01-7
- MLS000078293
- 2-[16-(CARBOXYMETHYL)-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECAN-7-YL]ACETIC ACID
- CBDivE_002580
- CHEMBL1537335
- 4,7,13,16-tetraoxa-1,10-diazacyclooctadecane-1,10-diacetic acid
- AKOS001483643
- FT-0776034
- SR-01000390262
- SR-01000390262-1
- SCHEMBL4374966
- SMR000034079
- DTXSID30993693
- 2,2'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)diaceticacid
-
- Inchi： 1S/C16H30N2O8/c19-15(20)13-17-1-5-23-9-10-25-7-3-18(14-16(21)22)4-8-26-12-11-24-6-2-17/h1-14H2,(H,19,20)(H,21,22)
- InChI Key： NCKZZTXKSYMGTD-UHFFFAOYSA-N
- SMILES： O1CCOCCN(CC(=O)O)CCOCCOCCN(CC(=O)O)CC1
Computed Properties
- Exact Mass: 378.20000
- Monoisotopic Mass: 378.20021592g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 340
- 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: -5.9
- Topological Polar Surface Area: 118?2
Experimental Properties
- Density: 1.1520 (rough estimate)
- Melting Point: 166-170?°C
- Boiling Point: 506.51°C (rough estimate)
- Flash Point: 307.4°C
- Refractive Index: 1.5290 (estimate)
- PSA: 118.00000
- LogP: -1.28460
1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diaceticacid Related Literature
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
72912-01-7 (1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diaceticacid) Related Products
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