Cas no 779349-89-2 (1,3-Benzenedicarboxylicacid, 4-(methylamino)-)
779349-89-2 structure
Product Name:1,3-Benzenedicarboxylicacid, 4-(methylamino)-
CAS No:779349-89-2
MF:C9H9NO4
MW:195.172062635422
CID:553500
PubChem ID:18683254
Update Time:2025-04-19
1,3-Benzenedicarboxylicacid, 4-(methylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylicacid, 4-(methylamino)-
- Isophthalicacid, 4-(methylamino)- (2CI)
- 4-(methylamino)benzene-1,3-dicarboxylic acid
- Isophthalic acid, 4-(methylamino)-
- 779349-89-2
- DTXSID40595566
- SCHEMBL17938282
- AKOS002677262
-
- Inchi： 1S/C9H9NO4/c1-10-7-3-2-5(8(11)12)4-6(7)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14)
- InChI Key： UWMMOZYVUBABMV-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C(=O)O)C=CC=1NC)=O
Computed Properties
- Exact Mass: 195.05315777g/mol
- Monoisotopic Mass: 195.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 241
- 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: 1.5
- Topological Polar Surface Area: 86.6?2
1,3-Benzenedicarboxylicacid, 4-(methylamino)- Related Literature
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
779349-89-2 (1,3-Benzenedicarboxylicacid, 4-(methylamino)-) Related Products
- 91-40-7(Fenamic acid)
- 119-68-6(2-(methylamino)benzoic acid)
- 610-16-2(2-(Dimethylamino)benzoic acid)
- 3342-77-6(2-(Formylamino)benzoic Acid (>90%))
- 61-68-7(Mefenamic acid)
- 40961-11-3(3-Methyl-2-(phenylamino)benzoic acid)
- 10109-95-2(1,4-Benzenedicarboxylicacid, 2,5-bis(phenylamino)-)
- 27693-67-0(2-((3-Carboxyphenyl)amino)benzoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
