Cas no 586960-48-7 (klugine)
klugine structure
Product Name:klugine
CAS No:586960-48-7
MF:C27H36N2O5
MW:468.585147857666
CID:6765452
Update Time:2024-03-03
klugine Chemical and Physical Properties
Names and Identifiers
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- Klugine
- (-)-Klugine
- klugine
-
- Inchi： 1S/C27H36N2O5/c1-4-16-15-29-8-6-17-10-23(30)25(33-2)12-20(17)22(29)9-19(16)14-27(32)21-13-26(34-3)24(31)11-18(21)5-7-28-27/h10-13,16,19,22,28,30-32H,4-9,14-15H2,1-3H3
- InChI Key： IIFHKWNCTVOSKL-UHFFFAOYSA-N
- SMILES： OC1C=C2CCNC(C2=CC=1OC)(CC1CC2C3C=C(OC)C(O)=CC=3CCN2CC1CC)O
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 34
- XLogP3: 1.53
klugine Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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