Cas no 106271-03-8 (Propanedioic acid, (hexahydro-2H-azepin-2-ylidene)-, diethyl ester)
106271-03-8 structure
Product Name:Propanedioic acid, (hexahydro-2H-azepin-2-ylidene)-, diethyl ester
CAS No:106271-03-8
MF:C13H21NO4
MW:255.31014418602
CID:1175275
Update Time:2024-08-05
Propanedioic acid, (hexahydro-2H-azepin-2-ylidene)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
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- Propanedioic acid, (hexahydro-2H-azepin-2-ylidene)-, diethyl ester
- Propanedioic acid, 2-(hexahydro-2H-azepin-2-ylidene)-, 1,3-diethyl ester
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- Inchi： 1S/C13H21NO4/c1-3-17-12(15)11(13(16)18-4-2)10-8-6-5-7-9-14-10/h14H,3-9H2,1-2H3
- InChI Key： FLLAVXJISDAIDA-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)/C(=C1\CCCCCN\1)/C(OCC)=O
Experimental Properties
- Density: 1.085±0.06 g/cm3(Predicted)
- Boiling Point: 328.3±42.0 °C(Predicted)
- pka: 3.62±0.20(Predicted)
Propanedioic acid, (hexahydro-2H-azepin-2-ylidene)-, diethyl ester Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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