Cas no 947533-33-7 ( )
structure
Product Name:
CAS No:947533-33-7
MF:C12H19ClN2O3S
MW:306.808861017227
CID:872351
PubChem ID:45158600
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-Methoxy-benzenesulfonyl)-piperidin-4-ylamine hydrochloride
- 1-(2-methoxyphenyl)sulfonylpiperidin-4-amine,hydrochloride
- DTXSID90669584
- 1-(2-Methoxybenzene-1-sulfonyl)piperidin-4-amine--hydrogen chloride (1/1)
- AKOS025978744
- 947533-33-7
- Z1491211267
-
-
- Inchi： 1S/C12H18N2O3S.ClH/c1-17-11-4-2-3-5-12(11)18(15,16)14-8-6-10(13)7-9-14;/h2-5,10H,6-9,13H2,1H3;1H
- InChI Key： XRIIYJKFYLDELD-UHFFFAOYSA-N
- SMILES： Cl.S(C1C=CC=CC=1OC)(N1CCC(CC1)N)(=O)=O
Computed Properties
- Exact Mass: 306.08000
- Monoisotopic Mass: 306.0804913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 358
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 81?2
Experimental Properties
- PSA: 81.01000
- LogP: 3.32800
Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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