Cas no 92331-75-4 (Diethyl(azepan-1-ylmethylidene)propanedioate)
92331-75-4 structure
Product Name:Diethyl(azepan-1-ylmethylidene)propanedioate
CAS No:92331-75-4
MF:C14H23NO4
MW:269.33672451973
CID:998365
PubChem ID:294334
Update Time:2025-04-20
Diethyl(azepan-1-ylmethylidene)propanedioate Chemical and Physical Properties
Names and Identifiers
-
- diethyl 2-(azepan-1-ylmethylidene)propanedioate
- NSC162402
- 92331-75-4
- DTXSID20303828
- Diethyl 2-(azepan-1-ylmethylene)malonate
- 1,3-diethyl 2-[(azepan-1-yl)methylidene]propanedioate
- NSC-162402
- diethyl(azepan-1-ylmethylidene)propanedioate
- Diethyl(azepan-1-ylmethylidene)propanedioate
-
- Inchi： 1S/C14H23NO4/c1-3-18-13(16)12(14(17)19-4-2)11-15-9-7-5-6-8-10-15/h11H,3-10H2,1-2H3
- InChI Key： OMXFFXWHYKQGTI-UHFFFAOYSA-N
- SMILES： O(CC)C(/C(/C(=O)OCC)=C\N1CCCCCC1)=O
Computed Properties
- Exact Mass: 269.16270821g/mol
- Monoisotopic Mass: 269.16270821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 310
- 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: 2.5
- Topological Polar Surface Area: 55.8?2
Diethyl(azepan-1-ylmethylidene)propanedioate Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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