Cas no 52119-01-4 (Ethyl 2,3-dicyano-3-methylbutanoate)
52119-01-4 structure
Product Name:Ethyl 2,3-dicyano-3-methylbutanoate
CAS No:52119-01-4
MF:C9H12N2O2
MW:180.203782081604
CID:1575830
PubChem ID:251145
Update Time:2025-04-21
Ethyl 2,3-dicyano-3-methylbutanoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 2,3-dicyano-3-methylbutanoate
- NSC71382
- AC1Q4QKV
- AC1L5J6K
- CTK4J5440
- AR-1I8133
- NSC-71382
- AG-K-91603
- 2,3-dicyano-3-methyl-butyric acid ethyl ester
- NSC71382; AC1Q4QKV; AC1L5J6K; CTK4J5440; AR-1I8133; NSC-71382; AG-K-91603; 2,3-dicyano-3-methyl-butyric acid ethyl ester;
- 52119-01-4
- AKOS024334867
- DTXSID50290833
- ETHYL 2,3-DICYANO-3-METHYLBUTYRATE
-
- Inchi： 1S/C9H12N2O2/c1-4-13-8(12)7(5-10)9(2,3)6-11/h7H,4H2,1-3H3
- InChI Key： BRGYCCHEMNLMCK-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C#N)C(C#N)(C)C)=O
Computed Properties
- Exact Mass: 180.08996
- Monoisotopic Mass: 180.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 289
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 73.9?2
Experimental Properties
- PSA: 73.88
- LogP: 1.23906
Ethyl 2,3-dicyano-3-methylbutanoate Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
52119-01-4 (Ethyl 2,3-dicyano-3-methylbutanoate) Related Products
- 6283-71-2(Dimethyl 2-cyanosuccinate)
- 1619-56-3(Ethyl 2-cyano-2-ethylbutanoate)
- 40497-11-8(Ethyl 2,3-dicyanopropionate)
- 1619-58-5(Ethyl 2-cyanobutanoate)
- 28246-87-9(Ethyl 1-cyanocyclobutanecarboxylate)
- 1558-81-2(Ethyl 1-cyanocyclopropanecarboxylate)
- 28247-14-5(ethyl 1-cyanocyclopentane-1-carboxylate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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