Cas no 71526-68-6 (1-Propanesulfonic acid, 3-[(4-aminophenyl)amino]-)
71526-68-6 structure
Product Name:1-Propanesulfonic acid, 3-[(4-aminophenyl)amino]-
CAS No:71526-68-6
MF:C9H14N2O3S
MW:230.284060955048
CID:545425
PubChem ID:21407768
Update Time:2025-04-19
1-Propanesulfonic acid, 3-[(4-aminophenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanesulfonic acid, 3-[(4-aminophenyl)amino]-
- 3-(4-aminoanilino)propane-1-sulfonic acid
- 71526-68-6
- DTXSID10613266
- SCHEMBL917777
-
- Inchi: 1S/C9H14N2O3S/c10-8-2-4-9(5-3-8)11-6-1-7-15(12,13)14/h2-5,11H,1,6-7,10H2,(H,12,13,14)
- InChI Key: RZVXUXFKLPCCAQ-UHFFFAOYSA-N
- SMILES: S(CCCNC1C=CC(=CC=1)N)(=O)(=O)O
Computed Properties
- Exact Mass: 230.07262
- Monoisotopic Mass: 230.07251349g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 266
- 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: 0.5
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 92.42
1-Propanesulfonic acid, 3-[(4-aminophenyl)amino]- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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