Cas no 162007-39-8 (Ethyl 4-cyano-2-(2-cyanoethyl)butanoate)
162007-39-8 structure
Product Name:Ethyl 4-cyano-2-(2-cyanoethyl)butanoate
CAS No:162007-39-8
MF:C10H14N2O2
MW:194.230362415314
CID:109872
PubChem ID:44629793
Update Time:2025-04-18
Ethyl 4-cyano-2-(2-cyanoethyl)butanoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 4-cyano-2-(2-cyanoethyl)butanoate
- Butanoic acid,4-cyano-2-(2-cyanoethyl)-, ethyl ester
- ETHYL 4-CYANO-2-(2-CYANOETHYL)BUTYRATE
- 4-CYANO-2-(2-CYANOETHYL)BUTYRIC ACID ETHYL ESTER
- DTXSID501278132
- FT-0643566
- 162007-39-8
-
- Inchi： 1S/C10H14N2O2/c1-2-14-10(13)9(5-3-7-11)6-4-8-12/h9H,2-6H2,1H3
- InChI Key： IRGJWVDXONAJSB-UHFFFAOYSA-N
- SMILES： O(CC)C(C(CCC#N)CCC#N)=O
Computed Properties
- Exact Mass: 194.10600
- Monoisotopic Mass: 194.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 248
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.5
- Topological Polar Surface Area: 73.9A^2
Experimental Properties
- Color/Form: Not determined
- Density: 1.06
- Refractive Index: 1.455
- PSA: 73.88000
- LogP: 1.77326
- Solubility: Not determined
Ethyl 4-cyano-2-(2-cyanoethyl)butanoate Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Ethyl 4-cyano-2-(2-cyanoethyl)butanoate Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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