Cas no 14054-56-9 (2-Propenoic acid,3-[bis(2-chloroethyl)amino]-, methyl ester)
![2-Propenoic acid,3-[bis(2-chloroethyl)amino]-, methyl ester structure](https://ossimg.kuujia.com/scimg/14500/14054-56-9x500.png)
14054-56-9 structure
Product Name:2-Propenoic acid,3-[bis(2-chloroethyl)amino]-, methyl ester
CAS No:14054-56-9
MF:C8H13Cl2NO2
MW:226.100320577621
CID:206011
PubChem ID:250265
Update Time:2025-04-19
2-Propenoic acid,3-[bis(2-chloroethyl)amino]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-[bis(2-chloroethyl)amino]-, methyl ester
- DTXSID30290558
- methyl 3-[bis(2-chloroethyl)amino]prop-2-enoate
- NCIOpen2_003418
- 14054-56-9
-
- Inchi： 1S/C8H13Cl2NO2/c1-13-8(12)2-5-11(6-3-9)7-4-10/h2,5H,3-4,6-7H2,1H3
- InChI Key： UUJPHLPOKGRGEH-UHFFFAOYSA-N
- SMILES： ClCCN(C=CC(=O)OC)CCCl
Computed Properties
- Exact Mass: 225.0323340g/mol
- Monoisotopic Mass: 225.0323340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.7
- Topological Polar Surface Area: 29.5?2
2-Propenoic acid,3-[bis(2-chloroethyl)amino]-, methyl ester Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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