Cas no 18755-33-4 (Propanedioic acid,2-(2-cyanoethyl)-2-pentyl-, 1,3-diethyl ester)
18755-33-4 structure
Product Name:Propanedioic acid,2-(2-cyanoethyl)-2-pentyl-, 1,3-diethyl ester
CAS No:18755-33-4
MF:C15H25NO4
MW:283.363304853439
CID:208845
PubChem ID:140420
Update Time:2025-04-19
Propanedioic acid,2-(2-cyanoethyl)-2-pentyl-, 1,3-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,2-(2-cyanoethyl)-2-pentyl-, 1,3-diethyl ester
- diethyl 2-(2-cyanoethyl)-2-pentylpropanedioate
- Propanedioic acid, (2-cyanoethyl)pentyl-, diethyl ester
- Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester
- DTXSID70172066
- 18755-33-4
-
- Inchi： 1S/C15H25NO4/c1-4-7-8-10-15(11-9-12-16,13(17)19-5-2)14(18)20-6-3/h4-11H2,1-3H3
- InChI Key： MDPMDEQKQHCPNA-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(CCC#N)CCCCC)=O
Computed Properties
- Exact Mass: 283.178
- Monoisotopic Mass: 283.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 12
- Complexity: 338
- 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: 3.3
- Topological Polar Surface Area: 76.4?2
Experimental Properties
- Density: 1.024
- Boiling Point: 390.9°Cat760mmHg
- Flash Point: 171°C
- Refractive Index: 1.454
Propanedioic acid,2-(2-cyanoethyl)-2-pentyl-, 1,3-diethyl ester Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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