Cas no 13894-28-5 (2-Propenoic acid,3-(diethylamino)-, ethyl ester, (2E)-)
13894-28-5 structure
Product Name:2-Propenoic acid,3-(diethylamino)-, ethyl ester, (2E)-
CAS No:13894-28-5
MF:C9H17NO2
MW:171.23678278923
CID:207885
PubChem ID:5462840
Update Time:2025-04-19
2-Propenoic acid,3-(diethylamino)-, ethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-(diethylamino)-, ethyl ester, (2E)-
- Ethyl (2E)-3-(diethylamino)acrylate
- ethyl (E)-3-(diethylamino)prop-2-enoate
- Ethyl (E)-3-(N,N-diethylamino)propenoate
- Ethyl (E)-3-(diethylamino)acrylate
- ethyl (E)-3-diethylaminoprop-2-enoate
- 36149-51-6
- 2-Propenoic acid, 3-(diethylamino)-, ethyl ester, (E)-
- ethyl (2E)-3-(diethylamino)-2-propenoate
- Ethyl 3-(diethylamino)acrylate
- ethyl-3-(diethylamino)acrylate
- Ethyl N,N-diethylaminoacrylate
- 13894-28-5
- 2-Propenoic acid, 3-(diethylamino)-, ethyl ester, (2E)-
- AKOS015915074
- EthylN,N-Diethylaminoacrylate
- A874420
-
- MDL： MFCD16294421
- Inchi： 1S/C9H17NO2/c1-4-10(5-2)8-7-9(11)12-6-3/h7-8H,4-6H2,1-3H3/b8-7+
- InChI Key： ANTPVARYELNKNQ-BQYQJAHWSA-N
- SMILES： O(CC)C(/C=C/N(CC)CC)=O
Computed Properties
- Exact Mass: 171.12601
- Monoisotopic Mass: 171.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 151
- 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
- XLogP3: 1.6
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 0.943±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 227.3±23.0 oC (760 Torr),
- Flash Point: 80.5±13.5 oC,
- Solubility: Slightly soluble (19 g/l) (25 o C),
- PSA: 29.54
2-Propenoic acid,3-(diethylamino)-, ethyl ester, (2E)- 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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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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