Cas no 202124-74-1 (methyl 2-(4-cyanobenzylamino)acetate)
202124-74-1 structure
Product Name:methyl 2-(4-cyanobenzylamino)acetate
CAS No:202124-74-1
MF:C11H12N2O2
MW:204.225182533264
CID:2109177
PubChem ID:10965616
Update Time:2025-04-21
methyl 2-(4-cyanobenzylamino)acetate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-(4-cyanobenzylamino)acetate
- AKOS000227473
- DA-08482
- SCHEMBL5346390
- 202124-74-1
- methyl 2-((4-cyanobenzyl)amino)acetate
- JGDNLNGUBKTITA-UHFFFAOYSA-N
-
- Inchi： 1S/C11H12N2O2/c1-15-11(14)8-13-7-10-4-2-9(6-12)3-5-10/h2-5,13H,7-8H2,1H3
- InChI Key： JGDNLNGUBKTITA-UHFFFAOYSA-N
- SMILES： O(C)C(CNCC1C=CC(C#N)=CC=1)=O
Computed Properties
- Exact Mass: 204.089877630Da
- Monoisotopic Mass: 204.089877630Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 249
- 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: 62.1?2
methyl 2-(4-cyanobenzylamino)acetate Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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