Cas no 53085-81-7 (Azacyclotrideca-2,4,6,8,10,12-hexaene-1-carboxylic acid, ethyl ester)
53085-81-7 structure
Product Name:Azacyclotrideca-2,4,6,8,10,12-hexaene-1-carboxylic acid, ethyl ester
CAS No:53085-81-7
MF:C15H17NO2
MW:243.300984144211
CID:358093
PubChem ID:12242084
Update Time:2025-04-19
Azacyclotrideca-2,4,6,8,10,12-hexaene-1-carboxylic acid, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Azacyclotrideca-2,4,6,8,10,12-hexaene-1-carboxylic acid, ethyl ester
- ethyl 1-azacyclotrideca-2,4,6,8,10,12-hexaene-1-carboxylate
- DTXSID30482037
- 53085-81-7
-
- Inchi： 1S/C15H17NO2/c1-2-18-15(17)16-13-11-9-7-5-3-4-6-8-10-12-14-16/h3-14H,2H2,1H3/b5-3-,6-4-,9-7-,10-8-,13-11-,14-12-
- InChI Key： HCASWEPKCVWHPQ-JMTWDSFTSA-N
- SMILES： O(CC)C(N1C=CC=CC=CC=CC=CC=C1)=O |c:5,7,9,11,13,15|
Computed Properties
- Exact Mass: 243.12601
- Monoisotopic Mass: 243.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 394
- 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: 3.9
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54
Azacyclotrideca-2,4,6,8,10,12-hexaene-1-carboxylic acid, ethyl ester Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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