Cas no 5379-97-5 (diethyl (acetylamino)(1H-indol-3-ylmethyl)propanedioate)
5379-97-5 structure
Product Name:diethyl (acetylamino)(1H-indol-3-ylmethyl)propanedioate
CAS No:5379-97-5
MF:C18H22N2O5
MW:346.377685070038
CID:939170
PubChem ID:95661
Update Time:2025-04-19
diethyl (acetylamino)(1H-indol-3-ylmethyl)propanedioate Chemical and Physical Properties
Names and Identifiers
-
- diethyl (acetylamino)(1H-indol-3-ylmethyl)propanedioate
- diethyl 2-acetamido-2-(1H-indol-3-ylmethyl)propanedioate
- Diethyl acetamido(1H-indol-3-ylmethyl)malonate
- propanedioic acid, 2-(acetylamino)-2-(1H-indol-3-ylmethyl)-, diethyl ester
- SCHEMBL13911074
- N-acetyl-alpha,alpha-di(ethoxycarbonyl)tryptamine
- 4-22-00-06882 (Beilstein Handbook Reference)
- DTXSID10202073
- NSC 28328
- 5379-97-5
- BRN 0338581
- Propanedioic acid, (acetylamino)(1H-indol-3-ylmethyl)-, diethyl ester
- NSC-28328
- NSC28328
-
- Inchi： 1S/C18H22N2O5/c1-4-24-16(22)18(20-12(3)21,17(23)25-5-2)10-13-11-19-15-9-7-6-8-14(13)15/h6-9,11,19H,4-5,10H2,1-3H3,(H,20,21)
- InChI Key： MTHSUWOVPABBJP-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(CC1=CNC2C=CC=CC1=2)NC(C)=O)=O
Computed Properties
- Exact Mass: 346.15296
- Monoisotopic Mass: 346.153
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 9
- Complexity: 490
- 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: 2.2
- Topological Polar Surface Area: 97.5?2
Experimental Properties
- Density: 1.238
- Boiling Point: 551.3°C at 760 mmHg
- Flash Point: 287.2°C
- Refractive Index: 1.573
- PSA: 97.49
diethyl (acetylamino)(1H-indol-3-ylmethyl)propanedioate Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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2. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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