Cas no 400648-69-3 (Benzeneacetic acid,3-amino-4-ethyl-, ethyl ester)
400648-69-3 structure
Product Name:Benzeneacetic acid,3-amino-4-ethyl-, ethyl ester
CAS No:400648-69-3
MF:C12H17NO2
MW:207.268883466721
CID:325718
PubChem ID:45094868
Update Time:2025-04-19
Benzeneacetic acid,3-amino-4-ethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,3-amino-4-ethyl-, ethyl ester
- Benzeneacetic acid, 3-amino-4-ethyl-, ethyl ester (9CI)
- Benzeneacetic acid,3-amino-4-ethyl-,ethyl ester(9ci)
- SCHEMBL5100488
- Ethyl (3-amino-4-ethylphenyl)acetate
- Ethyl 2-(3-amino-4-ethylphenyl)acetate
- 400648-69-3
-
- Inchi： 1S/C12H17NO2/c1-3-10-6-5-9(7-11(10)13)8-12(14)15-4-2/h5-7H,3-4,8,13H2,1-2H3
- InChI Key： QQLWVKAZOLVWAC-UHFFFAOYSA-N
- SMILES： O(CC)C(CC1C=CC(CC)=C(C=1)N)=O
Computed Properties
- Exact Mass: 207.126
- Monoisotopic Mass: 207.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 206
- 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
- Topological Polar Surface Area: 52.3A^2
- XLogP3: 2.2
Benzeneacetic acid,3-amino-4-ethyl-, ethyl ester Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
400648-69-3 (Benzeneacetic acid,3-amino-4-ethyl-, ethyl ester) Related Products
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