Cas no 19056-83-8 (Propanedioic acid, [[(3-methylphenyl)amino]methylene]-, diethyl ester)
19056-83-8 structure
Product Name:Propanedioic acid, [[(3-methylphenyl)amino]methylene]-, diethyl ester
CAS No:19056-83-8
MF:C15H19NO4
MW:277.3156645298
CID:1383603
Update Time:2024-08-16
Propanedioic acid, [[(3-methylphenyl)amino]methylene]-, diethyl ester Chemical and Physical Properties
Names and Identifiers
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- Propanedioic acid, [[(3-methylphenyl)amino]methylene]-, diethyl ester
- diethyl 2-{[(3-methylphenyl)amino]methylene}propane-1,3-dioate
- Propanedioic acid, 2-[[(3-methylphenyl)amino]methylene]-, 1,3-diethyl ester
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- Inchi: 1S/C15H19NO4/c1-4-19-14(17)13(15(18)20-5-2)10-16-12-8-6-7-11(3)9-12/h6-10,16H,4-5H2,1-3H3
- InChI Key: RSRNSQJGMCGUQB-UHFFFAOYSA-N
- SMILES: C(OCC)(=O)/C(=C/NC1=CC=CC(C)=C1)/C(OCC)=O
Computed Properties
- Exact Mass: 277.131
- Monoisotopic Mass: 277.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 345
- 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
Experimental Properties
- Density: 1.150±0.06 g/cm3(Predicted)
- Melting Point: 39-40 °C(Solv: ethanol (64-17-5))
- Boiling Point: 349.3±42.0 °C(Predicted)
- pka: -0.65±0.70(Predicted)
Propanedioic acid, [[(3-methylphenyl)amino]methylene]-, diethyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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