Cas no 823202-96-6 (1,4,7,10,13-Pentaoxa-16-azacyclooctadecane, 16-(4-methylphenyl)-)
823202-96-6 structure
Product Name:1,4,7,10,13-Pentaoxa-16-azacyclooctadecane, 16-(4-methylphenyl)-
CAS No:823202-96-6
MF:C19H31NO5
MW:353.453146219254
CID:694799
PubChem ID:71419396
Update Time:2025-04-19
1,4,7,10,13-Pentaoxa-16-azacyclooctadecane, 16-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane, 16-(4-methylphenyl)-
- 16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
- DTXSID80838646
- 823202-96-6
- SCHEMBL4349589
-
- Inchi： 1S/C19H31NO5/c1-18-2-4-19(5-3-18)20-6-8-21-10-12-23-14-16-25-17-15-24-13-11-22-9-7-20/h2-5H,6-17H2,1H3
- InChI Key： PRHGSIZVPITQSG-UHFFFAOYSA-N
- SMILES： O1CCOCCOCCOCCOCCN(C2C=CC(C)=CC=2)CC1
Computed Properties
- Exact Mass: 353.22022309g/mol
- Monoisotopic Mass: 353.22022309g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 1
- Complexity: 292
- 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: 1.1
- Topological Polar Surface Area: 49.4?2
1,4,7,10,13-Pentaoxa-16-azacyclooctadecane, 16-(4-methylphenyl)- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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