Cas no 1112-27-2 (Butanoic acid,2,4-dicyano-2-(2-cyanoethyl)-, ethyl ester)
1112-27-2 structure
Product Name:Butanoic acid,2,4-dicyano-2-(2-cyanoethyl)-, ethyl ester
CAS No:1112-27-2
MF:C11H13N3O2
MW:219.239822149277
CID:231044
PubChem ID:223270
Update Time:2025-04-19
Butanoic acid,2,4-dicyano-2-(2-cyanoethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2,4-dicyano-2-(2-cyanoethyl)-, ethyl ester
- ethyl 2,4-dicyano-2-(2-cyanoethyl)butanoate
- 2,4-Dicyan-2-(2-cyan-aethyl)-buttersaeure-aethylester
- 2,4-dicyano-2-(2-cyanoethyl)-butyric acid ethyl ester
- 2,4-dicyano-2-(2-cyano-ethyl)-butyric acid ethyl ester
- 3-cyano-3-ethoxycarbonylpimelonitrile
- AC1L5CFL
- AC1Q4QJ8
- AG-J-15175
- AR-1I8166
- CTK4A7245
- ethyl-2,4-dicyano-2-(2-cyanoethyl)butanoate
- NSC10745
- SCHEMBL18290151
- 1112-27-2
- NSC-10745
- DTXSID00278944
-
- Inchi： 1S/C11H13N3O2/c1-2-16-10(15)11(9-14,5-3-7-12)6-4-8-13/h2-6H2,1H3
- InChI Key： HHNLPWRXLZITCI-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C#N)(CCC#N)CCC#N)=O
Computed Properties
- Exact Mass: 219.10089
- Monoisotopic Mass: 219.101
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 367
- 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: 0.3
- Topological Polar Surface Area: 97.7?2
Experimental Properties
- Density: 1.131
- Boiling Point: 479.7°C at 760 mmHg
- Flash Point: 208.6°C
- Refractive Index: 1.474
- PSA: 97.67
Butanoic acid,2,4-dicyano-2-(2-cyanoethyl)-, ethyl ester Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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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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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
1112-27-2 (Butanoic acid,2,4-dicyano-2-(2-cyanoethyl)-, ethyl ester) Related Products
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