Cas no 75985-08-9 (Benzoic acid, 3-(aminomethyl)-2-methyl-, ethyl ester)
75985-08-9 structure
Product Name:Benzoic acid, 3-(aminomethyl)-2-methyl-, ethyl ester
CAS No:75985-08-9
MF:C11H15NO2
MW:193.242303133011
CID:538688
PubChem ID:20483644
Update Time:2025-04-19
Benzoic acid, 3-(aminomethyl)-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(aminomethyl)-2-methyl-, ethyl ester
- ethyl 3-(aminomethyl)-2-methylbenzoate
- DTXSID60607918
- 75985-08-9
- SCHEMBL11152734
-
- Inchi： 1S/C11H15NO2/c1-3-14-11(13)10-6-4-5-9(7-12)8(10)2/h4-6H,3,7,12H2,1-2H3
- InChI Key： GDHODMFEJVBHFL-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC=CC(CN)=C1C)=O
Computed Properties
- Exact Mass: 193.11035
- Monoisotopic Mass: 193.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 194
- 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: 1.4
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.32
Benzoic acid, 3-(aminomethyl)-2-methyl-, ethyl ester Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
75985-08-9 (Benzoic acid, 3-(aminomethyl)-2-methyl-, ethyl ester) Related Products
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