Cas no 56961-69-4 (bis(N-phenylanilinium) sulphate)
56961-69-4 structure
Product Name:bis(N-phenylanilinium) sulphate
CAS No:56961-69-4
MF:C12H13NO4S
MW:267.30092215538
CID:946214
PubChem ID:11486
Update Time:2025-04-19
bis(N-phenylanilinium) sulphate Chemical and Physical Properties
Names and Identifiers
-
- bis(N-phenylanilinium) sulphate
- N-phenylaniline sulfate (1:1)
- AS-57524
- SCHEMBL1008717
- DTXSID40883450
- DIPHENYLAMINE HYDROGEN SULFATE
- A869365
- DIPHENYLAMINE SULFATE [MI]
- Benzenamine, N-phenyl-, sulfate (1:1)
- EINECS 260-473-6
- IPZMDJYHJNHGML-UHFFFAOYSA-N
- DIPHENYLAMINE SULFATE
- HSDB 2789
- EINECS 209-605-6
- MFCD00042016
- UNII-3257243NLY
- USAF EK-743
- Diphenylamine, hydrogen sulfate
- N-phenylaniline; sulfuric acid
- Diphenylaminsulfat
- AKOS015856783
- 3257243NLY
- 56961-69-4
- D0875
- DB-230257
- Q27256145
- N-phenylaniline;sulfuric acid
- 587-84-8
- D89734
- Diphenylammonium hydrogen sulphate
-
- Inchi： 1S/C12H11N.H2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h1-10,13H;(H2,1,2,3,4)
- InChI Key： IPZMDJYHJNHGML-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(O)O.N(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 436.14582
- Monoisotopic Mass: 267.056529
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 197
- 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: 95
Experimental Properties
- Melting Point: 125 DEG C
- Boiling Point: 302°Cat760mmHg
- Flash Point: 302°Cat760mmHg
- PSA: 113.48
bis(N-phenylanilinium) sulphate Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
56961-69-4 (bis(N-phenylanilinium) sulphate) Related Products
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