Cas no 695215-99-7 (Benzoic acid, 3-amino-5-[methyl(methylsulfonyl)amino]-, methyl ester)
![Benzoic acid, 3-amino-5-[methyl(methylsulfonyl)amino]-, methyl ester structure](https://ossimg.kuujia.com/scimg/695500/695215-99-7x500.png)
695215-99-7 structure
Product Name:Benzoic acid, 3-amino-5-[methyl(methylsulfonyl)amino]-, methyl ester
CAS No:695215-99-7
MF:C10H14N2O4S
MW:258.294161319733
CID:391673
PubChem ID:21054739
Update Time:2025-04-19
Benzoic acid, 3-amino-5-[methyl(methylsulfonyl)amino]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-amino-5-[methyl(methylsulfonyl)amino]-, methyl ester
- methyl 3-amino-5-[methyl(methylsulfonyl)amino]benzoate
- CIKQQGPGINOZCQ-UHFFFAOYSA-N
- DTXSID20610367
- SCHEMBL3445965
- Methyl 3-amino-5-[(methanesulfonyl)(methyl)amino]benzoate
- 695215-99-7
-
- Inchi： 1S/C10H14N2O4S/c1-12(17(3,14)15)9-5-7(10(13)16-2)4-8(11)6-9/h4-6H,11H2,1-3H3
- InChI Key： CIKQQGPGINOZCQ-UHFFFAOYSA-N
- SMILES： S(C)(N(C)C1C=C(C=C(C(=O)OC)C=1)N)(=O)=O
Computed Properties
- Exact Mass: 258.06752
- Monoisotopic Mass: 258.06742811g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 376
- 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: 0.2
- Topological Polar Surface Area: 98.1?2
Experimental Properties
- PSA: 89.7
Benzoic acid, 3-amino-5-[methyl(methylsulfonyl)amino]-, methyl ester Related Literature
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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
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