Cas no 86952-03-6 (1,7-Dioxa-4,10-diazacyclododecane-4,10-diacetic acid)
86952-03-6 structure
Product Name:1,7-Dioxa-4,10-diazacyclododecane-4,10-diacetic acid
CAS No:86952-03-6
MF:C12H22N2O6
MW:290.312883853912
CID:660084
PubChem ID:71413613
Update Time:2025-04-19
1,7-Dioxa-4,10-diazacyclododecane-4,10-diacetic acid Chemical and Physical Properties
Names and Identifiers
-
- 1,7-Dioxa-4,10-diazacyclododecane-4,10-diacetic acid
- 2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid
- 86952-03-6
- DTXSID30833126
- SCHEMBL20564592
- 2,2'-(1,7-Dioxa-4,10-diazacyclododecane-4,10-diyl)diacetic acid
- FT-0776035
- 2,2'-(1,7-Dioxa-4,10-diazacyclododecane-4,10-diyl)diaceticacid
-
- Inchi： 1S/C12H22N2O6/c15-11(16)9-13-1-5-19-7-3-14(10-12(17)18)4-8-20-6-2-13/h1-10H2,(H,15,16)(H,17,18)
- InChI Key： ABTQGSUSLWDPQC-UHFFFAOYSA-N
- SMILES： O1CCN(CC(=O)O)CCOCCN(CC(=O)O)CC1
Computed Properties
- Exact Mass: 290.14778643g/mol
- Monoisotopic Mass: 290.14778643g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 270
- 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: -5.6
- Topological Polar Surface Area: 99.5?2
1,7-Dioxa-4,10-diazacyclododecane-4,10-diacetic acid Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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