Cas no 81963-61-3 (1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diacetic acid)
81963-61-3 structure
Product Name:1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diacetic acid
CAS No:81963-61-3
MF:C14H26N2O7
MW:334.365444660187
CID:702482
PubChem ID:13743233
Update Time:2025-04-19
1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diacetic acid Chemical and Physical Properties
Names and Identifiers
-
- 1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diacetic acid
- 2-[13-(carboxymethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetic acid
- SCHEMBL6858111
- DTXSID30548223
- 81963-61-3
- 2,2'-(1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diyl)diacetic acid
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- Inchi： 1S/C14H26N2O7/c17-13(18)11-15-1-5-21-6-2-16(12-14(19)20)4-8-23-10-9-22-7-3-15/h1-12H2,(H,17,18)(H,19,20)
- InChI Key： LSJZKCGCKUSIAA-UHFFFAOYSA-N
- SMILES： O1CCN(CC(=O)O)CCOCCOCCN(CC(=O)O)CC1
Computed Properties
- Exact Mass: 334.17400117g/mol
- Monoisotopic Mass: 334.17400117g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 322
- 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: -5.7
- Topological Polar Surface Area: 109?2
1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diacetic acid Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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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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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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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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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
81963-61-3 (1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diacetic acid) Related Products
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