Cas no 491878-47-8 (Diethyl 2,2'-(octahydro-1H-quinolizine-4,6-diyl)diacetate)
491878-47-8 structure
Product Name:Diethyl 2,2'-(octahydro-1H-quinolizine-4,6-diyl)diacetate
CAS No:491878-47-8
MF:C17H29NO4
MW:311.416465520859
CID:2671065
Update Time:2023-08-06
Diethyl 2,2'-(octahydro-1H-quinolizine-4,6-diyl)diacetate Chemical and Physical Properties
Names and Identifiers
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- DIETHYL 2,2'-(OCTAHYDRO-1H-QUINOLIZINE-4,6-DIYL)DIACETATE
- ethyl 2-[6-(2-ethoxy-2-oxoethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]acetate
- Diethyl 2,2'-(octahydro-2H-quinolizine-4,6-diyl)diacetate
- Diethyl 2,2'-(octahydro-1H-quinolizine-4,6-diyl)diacetate
-
- Inchi： 1S/C17H29NO4/c1-3-21-16(19)11-14-9-5-7-13-8-6-10-15(18(13)14)12-17(20)22-4-2/h13-15H,3-12H2,1-2H3
- InChI Key： INQRSVUDHJKWHF-UHFFFAOYSA-N
- SMILES： O(CC)C(CC1CCCC2CCCC(CC(=O)OCC)N21)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 351
- Topological Polar Surface Area: 55.8
Diethyl 2,2'-(octahydro-1H-quinolizine-4,6-diyl)diacetate Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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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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