Cas no 65566-12-3 (Benzoic acid, 4-amino-3,5-diethoxy-, ethyl ester)
65566-12-3 structure
Product Name:Benzoic acid, 4-amino-3,5-diethoxy-, ethyl ester
CAS No:65566-12-3
MF:C13H19NO4
MW:253.29426407814
CID:1699463
PubChem ID:12398444
Update Time:2025-04-21
Benzoic acid, 4-amino-3,5-diethoxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-amino-3,5-diethoxy-, ethyl ester
- 65566-12-3
- DB-212594
- SCHEMBL1121160
- 4-amino-3,5-diethoxybenzoic acid ethyl ester
- BGNFNUXEBYGZAM-UHFFFAOYSA-N
- 4-amino-3,5-diethoxy-benzoic acid ethyl ester
-
- Inchi： 1S/C13H19NO4/c1-4-16-10-7-9(13(15)18-6-3)8-11(12(10)14)17-5-2/h7-8H,4-6,14H2,1-3H3
- InChI Key： BGNFNUXEBYGZAM-UHFFFAOYSA-N
- SMILES： O(CC)C1C=C(C(=O)OCC)C=C(C=1N)OCC
Computed Properties
- Exact Mass: 253.13147
- Monoisotopic Mass: 253.13140809g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- 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: 2.1
- Topological Polar Surface Area: 70.8?2
Experimental Properties
- PSA: 70.78
Benzoic acid, 4-amino-3,5-diethoxy-, ethyl ester Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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