Cas no 88071-38-9 (1,4,7,13,16,19-Hexaoxa-10,22-diazacyclotetracosane-10-propanoicacid, 22-(1-oxododecyl)-)
88071-38-9 structure
Product Name:1,4,7,13,16,19-Hexaoxa-10,22-diazacyclotetracosane-10-propanoicacid, 22-(1-oxododecyl)-
CAS No:88071-38-9
MF:C31H60N2O9
MW:604.816110610962
CID:646272
PubChem ID:71411069
Update Time:2025-04-19
1,4,7,13,16,19-Hexaoxa-10,22-diazacyclotetracosane-10-propanoicacid, 22-(1-oxododecyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7,13,16,19-Hexaoxa-10,22-diazacyclotetracosane-10-propanoicacid, 22-(1-oxododecyl)-
- 3-(22-dodecanoyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracos-10-yl)propanoic acid
- DTXSID20830705
- 3-(22-DODECANOYL-1,4,7,13,16,19-HEXAOXA-10,22-DIAZACYCLOTETRACOSAN-10-YL)PROPANOIC ACID
- 88071-38-9
-
- Inchi： 1S/C31H60N2O9/c1-2-3-4-5-6-7-8-9-10-11-30(34)33-16-20-39-24-28-41-26-22-37-18-14-32(13-12-31(35)36)15-19-38-23-27-42-29-25-40-21-17-33/h2-29H2,1H3,(H,35,36)
- InChI Key： CDPGUJRIUVXVFQ-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCC)N1CCOCCOCCOCCN(CCC(=O)O)CCOCCOCCOCC1
Computed Properties
- Exact Mass: 604.42988150g/mol
- Monoisotopic Mass: 604.42988150g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 42
- Rotatable Bond Count: 13
- Complexity: 601
- 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: 1
- Topological Polar Surface Area: 116?2
1,4,7,13,16,19-Hexaoxa-10,22-diazacyclotetracosane-10-propanoicacid, 22-(1-oxododecyl)- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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