Cas no 71412-00-5 (Naphthalenesulfonicacid, 8-amino-1-(4-methylphenyl)- (9CI))
71412-00-5 structure
Product Name:Naphthalenesulfonicacid, 8-amino-1-(4-methylphenyl)- (9CI)
CAS No:71412-00-5
MF:C17H15NO3S
MW:313.370903253555
CID:568428
PubChem ID:44151939
Update Time:2025-04-19
Naphthalenesulfonicacid, 8-amino-1-(4-methylphenyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Naphthalenesulfonicacid, 8-amino-1-(4-methylphenyl)- (9CI)
- 8-amino-1-(p-tolyl)naphthalenesulphonic acid
- 8-amino-1-(4-methylphenyl)naphthalene-2-sulfonic acid
- EINECS 275-408-7
- 4-Methylphenyl 8-aminonaphthalene-1-sulfonate
- 8-AMINO-1-(P-TOLYL)NAPHTHALENESULFONIC ACID
- 71412-00-5
- DTXSID20991764
-
- Inchi： 1S/C17H15NO3S/c1-12-8-10-14(11-9-12)21-22(19,20)16-7-3-5-13-4-2-6-15(18)17(13)16/h2-11H,18H2,1H3
- InChI Key： JULFGFUYKONKMF-UHFFFAOYSA-N
- SMILES： S(C1=CC=CC2=CC=CC(=C12)N)(=O)(=O)OC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 315.09301
- Monoisotopic Mass: 313.07726451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 465
- 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: 4
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 80.39
Naphthalenesulfonicacid, 8-amino-1-(4-methylphenyl)- (9CI) Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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