Cas no 663625-65-8 (Benzoic acid, 3-amino-4-[2-(2-aminophenoxy)ethoxy]-, methyl ester)
![Benzoic acid, 3-amino-4-[2-(2-aminophenoxy)ethoxy]-, methyl ester structure](https://ossimg.kuujia.com/scimg/664000/663625-65-8x500.png)
663625-65-8 structure
Product Name:Benzoic acid, 3-amino-4-[2-(2-aminophenoxy)ethoxy]-, methyl ester
CAS No:663625-65-8
MF:C16H18N2O4
MW:302.325124263763
CID:396411
PubChem ID:71375074
Update Time:2025-04-19
Benzoic acid, 3-amino-4-[2-(2-aminophenoxy)ethoxy]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-amino-4-[2-(2-aminophenoxy)ethoxy]-, methyl ester
- methyl 3-amino-4-[2-(2-aminophenoxy)ethoxy]benzoate
- 663625-65-8
- DTXSID00797827
-
- Inchi： 1S/C16H18N2O4/c1-20-16(19)11-6-7-15(13(18)10-11)22-9-8-21-14-5-3-2-4-12(14)17/h2-7,10H,8-9,17-18H2,1H3
- InChI Key： YHFLRRUXXWFNOK-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=O)OC)=CC=1N)CCOC1C=CC=CC=1N
Computed Properties
- Exact Mass: 302.12674
- Monoisotopic Mass: 302.12665706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 353
- 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: 96.8?2
Experimental Properties
- PSA: 96.8
Benzoic acid, 3-amino-4-[2-(2-aminophenoxy)ethoxy]-, methyl ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
663625-65-8 (Benzoic acid, 3-amino-4-[2-(2-aminophenoxy)ethoxy]-, methyl ester) Related Products
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