Cas no 6274-21-1 ( )
structure
Product Name:
CAS No:6274-21-1
MF:C8H13NO5S
MW:235.257521390915
CID:957581
PubChem ID:235518
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-(dimethylamino)phenol,sulfuric acid
- p-Dimethylaminophenol,hemisulfate
- p-Dimethylaminophenol, hemisulfate
- 4-(dimethylamino)phenol sulfate(1:1)
- 4-(dimethylamino)phenol; sulfuric acid
- DS-014995
- 6274-21-1
- 4-(Dimethylamino)phenolsulfate
- DTXSID30284371
- NSC-36990
- NSC36990
-
-
- Inchi： 1S/C8H11NO.H2O4S/c1-9(2)7-3-5-8(10)6-4-7;1-5(2,3)4/h3-6,10H,1-2H3;(H2,1,2,3,4)
- InChI Key： JFPRRTVSCCQNLL-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(O)O.OC1C=CC(=CC=1)N(C)C
Computed Properties
- Exact Mass: 235.05100
- Monoisotopic Mass: 235.05144369g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 177
- 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: 106?2
Experimental Properties
- PSA: 106.45000
- LogP: 1.88620
Related Literature
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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