Cas no 114968-87-5 (4-Pentenoic acid,2-amino-2-methyl-, ethyl ester)
114968-87-5 structure
Product Name:4-Pentenoic acid,2-amino-2-methyl-, ethyl ester
CAS No:114968-87-5
MF:C8H15NO2
MW:157.210202455521
CID:130550
PubChem ID:10103394
Update Time:2025-04-19
4-Pentenoic acid,2-amino-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Pentenoic acid,2-amino-2-methyl-, ethyl ester
- 4-Pentenoicacid,2-amino-2-methyl-,ethylester(9CI)
- ethyl 2-amino-2-methylpent-4-enoate
- 114968-87-5
- ethyl 2-amino-2-methyl-4-pentenoate
-
- Inchi: 1S/C8H15NO2/c1-4-6-8(3,9)7(10)11-5-2/h4H,1,5-6,9H2,2-3H3
- InChI Key: ZLIUKIJCRAXHNX-UHFFFAOYSA-N
- SMILES: O(CC)C(C(C)(CC=C)N)=O
Computed Properties
- Exact Mass: 157.110278721g/mol
- Monoisotopic Mass: 157.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 156
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 52.3?2
4-Pentenoic acid,2-amino-2-methyl-, ethyl ester Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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