Cas no 824402-48-4 (Benzeneacetic acid, 3-amino-4-(1-methylethoxy)-, ethyl ester)
824402-48-4 structure
Product Name:Benzeneacetic acid, 3-amino-4-(1-methylethoxy)-, ethyl ester
CAS No:824402-48-4
MF:C13H19NO3
MW:237.294863939285
CID:691481
PubChem ID:71418625
Update Time:2025-04-19
Benzeneacetic acid, 3-amino-4-(1-methylethoxy)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 3-amino-4-(1-methylethoxy)-, ethyl ester
- ethyl 2-(3-amino-4-propan-2-yloxyphenyl)acetate
- DTXSID10837920
- Ethyl {3-amino-4-[(propan-2-yl)oxy]phenyl}acetate
- 824402-48-4
-
- Inchi： 1S/C13H19NO3/c1-4-16-13(15)8-10-5-6-12(11(14)7-10)17-9(2)3/h5-7,9H,4,8,14H2,1-3H3
- InChI Key： QYMDCRMFQZYQGN-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1N)CC(=O)OCC)C(C)C
Computed Properties
- Exact Mass: 237.13649347g/mol
- Monoisotopic Mass: 237.13649347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 243
- 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: 61.6?2
Benzeneacetic acid, 3-amino-4-(1-methylethoxy)-, ethyl ester Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
824402-48-4 (Benzeneacetic acid, 3-amino-4-(1-methylethoxy)-, ethyl ester) Related Products
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