Cas no 1883-81-4 (1-Aziridineacrylicacid, ethyl ester, (E)- (8CI))
1883-81-4 structure
Product Name:1-Aziridineacrylicacid, ethyl ester, (E)- (8CI)
CAS No:1883-81-4
MF:C7H11NO2
MW:141.167742013931
CID:228130
PubChem ID:5380226
Update Time:2025-04-19
1-Aziridineacrylicacid, ethyl ester, (E)- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Aziridineacrylicacid, ethyl ester, (E)- (8CI)
- ethyl (E)-3-(aziridin-1-yl)prop-2-enoate
- 1-AZIRIDINEACRYLIC ACID, ETHYL ESTER
- AC1NTFSE
- AC1Q648B
- Acrylic acid, 3-(1-aziridinyl)-, ethyl ester
- LS-23195
- NSC89946
- trans-Aziridin-acrylsaeure-ethylester
- NSC-89946
- 1883-81-4
- 50868-08-1
- beta-(1-Aziridine)acrylic acid, ethyl ester
-
- Inchi： 1S/C7H11NO2/c1-2-10-7(9)3-4-8-5-6-8/h3-4H,2,5-6H2,1H3/b4-3+
- InChI Key： OICDJJATTQWQLV-ONEGZZNKSA-N
- SMILES： O(CC)C(/C=C/N1CC1)=O
Computed Properties
- Exact Mass: 141.07903
- Monoisotopic Mass: 141.078979
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 150
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.3
- XLogP3: 0.6
Experimental Properties
- PSA: 29.31
- LogP: 0.31670
1-Aziridineacrylicacid, ethyl ester, (E)- (8CI) Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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