Cas no 656250-11-2 (Acetamide, N-[3-(2-aminophenyl)-3-oxopropyl]-)
656250-11-2 structure
Product Name:Acetamide, N-[3-(2-aminophenyl)-3-oxopropyl]-
CAS No:656250-11-2
MF:C11H14N2O2
MW:206.241062641144
CID:397943
PubChem ID:21777754
Update Time:2025-04-19
Acetamide, N-[3-(2-aminophenyl)-3-oxopropyl]- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, N-[3-(2-aminophenyl)-3-oxopropyl]-
- N-[3-(2-aminophenyl)-3-oxopropyl]acetamide
- 656250-11-2
- CHEBI:199133
- N-Acetylkynuramine
- SCHEMBL20556420
- DTXSID10617921
-
- Inchi: 1S/C11H14N2O2/c1-8(14)13-7-6-11(15)9-4-2-3-5-10(9)12/h2-5H,6-7,12H2,1H3,(H,13,14)
- InChI Key: YDSXWKCTDWHLBK-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC=CC=1N)CCNC(C)=O
Computed Properties
- Exact Mass: 206.10562
- Monoisotopic Mass: 206.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 241
- 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: 0.9
- Topological Polar Surface Area: 72.2?2
Experimental Properties
- PSA: 72.19
Acetamide, N-[3-(2-aminophenyl)-3-oxopropyl]- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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