Cas no 57001-46-4 (2-Propenoic acid, 2-(acetylamino)-, 1,1-dimethylethyl ester)
57001-46-4 structure
Product Name:2-Propenoic acid, 2-(acetylamino)-, 1,1-dimethylethyl ester
CAS No:57001-46-4
MF:C9H15NO3
MW:185.220302820206
CID:346961
PubChem ID:13334507
Update Time:2025-04-19
2-Propenoic acid, 2-(acetylamino)-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-(acetylamino)-, 1,1-dimethylethyl ester
- tert-butyl 2-acetamidoprop-2-enoate
- DTXSID90537254
- SCHEMBL11620960
- 57001-46-4
-
- Inchi： 1S/C9H15NO3/c1-6(10-7(2)11)8(12)13-9(3,4)5/h1H2,2-5H3,(H,10,11)
- InChI Key： BQKIGJVQAAOYOT-UHFFFAOYSA-N
- SMILES： O(C(C(=C)NC(C)=O)=O)C(C)(C)C
Computed Properties
- Exact Mass: 185.10525
- Monoisotopic Mass: 185.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 238
- 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: 1.1
- Topological Polar Surface Area: 55.4?2
Experimental Properties
- PSA: 55.4
2-Propenoic acid, 2-(acetylamino)-, 1,1-dimethylethyl ester Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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4. 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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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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