Cas no 5440-53-9 (Propanedioic acid,2-(acetylamino)-2-[(2-methylphenyl)methyl]-, 1,3-diethyl ester)
![Propanedioic acid,2-(acetylamino)-2-[(2-methylphenyl)methyl]-, 1,3-diethyl ester structure](https://ossimg.kuujia.com/scimg/5500/5440-53-9x500.png)
5440-53-9 structure
Product Name:Propanedioic acid,2-(acetylamino)-2-[(2-methylphenyl)methyl]-, 1,3-diethyl ester
CAS No:5440-53-9
MF:C17H23NO5
MW:321.368225336075
CID:368484
PubChem ID:227956
Update Time:2025-04-19
Propanedioic acid,2-(acetylamino)-2-[(2-methylphenyl)methyl]-, 1,3-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,2-(acetylamino)-2-[(2-methylphenyl)methyl]-, 1,3-diethyl ester
- diethyl 2-acetamido-2-[(2-methylphenyl)methyl]propanedioate
- 2-acetylamino-2-(2-methylbenzyl)malonic acid diethyl ester
- AC1L5FVE
- AC1Q63ZZ
- Acetamino-(2-methyl-benzyl)-malonsaeure-diethy
- acetylamino-(2-methyl-benzyl)-malonic acid diethyl ester
- Acetylamino-(2-methyl-benzyl)-malonsaeure-diaethylester
- AR-1I4613
- CTK5A0870
- diethyl (N-acetylamido)[(2-methylphenyl)methyl]malonate
- diethyl (N-acetylamino)[(2-methylphenyl)methyl]malonate
- diethyl acetamido(2-methylbenzyl)malonate
- NSC20179
- AKOS024326166
- Diethyl acetamido[(2-methylphenyl)methyl]propanedioate
- 5440-53-9
- DTXSID40281119
- NSC-20179
- diethyl 2-(acetylamino)-2-(2-methylbenzyl)malonate
-
- Inchi： 1S/C17H23NO5/c1-5-22-15(20)17(18-13(4)19,16(21)23-6-2)11-14-10-8-7-9-12(14)3/h7-10H,5-6,11H2,1-4H3,(H,18,19)
- InChI Key： MLOGBFRWXSOGML-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(CC1C=CC=CC=1C)NC(C)=O)=O
Computed Properties
- Exact Mass: 321.15769
- Monoisotopic Mass: 321.158
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 9
- Complexity: 417
- 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: 2.5
- Topological Polar Surface Area: 81.7?2
Experimental Properties
- Density: 1.133
- Boiling Point: 466.4°Cat760mmHg
- Flash Point: 235.9°C
- Refractive Index: 1.51
- PSA: 81.7
Propanedioic acid,2-(acetylamino)-2-[(2-methylphenyl)methyl]-, 1,3-diethyl ester Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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