Cas no 64835-50-3 (Benzenesulfonic acid, 4-amino-2,6-dimethyl-)
64835-50-3 structure
Product Name:Benzenesulfonic acid, 4-amino-2,6-dimethyl-
CAS No:64835-50-3
MF:C8H11NO3S
MW:201.242841005325
CID:415532
PubChem ID:459390
Update Time:2025-04-19
Benzenesulfonic acid, 4-amino-2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid, 4-amino-2,6-dimethyl-
- 4-amino-2,6-dimethylbenzenesulfonic acid
- 64835-50-3
- DTXSID50332641
- SCHEMBL159033
- 4-Amino-2,6-xylenesulfonic acid
- 4-amino-2,6-dimethyl-benzenesulfonic acid
-
- Inchi： 1S/C8H11NO3S/c1-5-3-7(9)4-6(2)8(5)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)
- InChI Key： YIODYZSDSMIZMZ-UHFFFAOYSA-N
- SMILES： S(C1C(C)=CC(=CC=1C)N)(=O)(=O)O
Computed Properties
- Exact Mass: 201.04603
- Monoisotopic Mass: 201.04596439g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 258
- 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: 0.7
- Topological Polar Surface Area: 88.8?2
Experimental Properties
- PSA: 80.39
Benzenesulfonic acid, 4-amino-2,6-dimethyl- Related Literature
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
64835-50-3 (Benzenesulfonic acid, 4-amino-2,6-dimethyl-) Related Products
- 118-88-7(4-Amino-2-sulfotoluene)
- 133-78-8(m-Toluidine-4-sulfonic Acid)
- 6370-23-6(Benzenesulfonic acid,5-amino-2,4-dimethyl-)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
Recommended suppliers
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
