Cas no 286410-35-3 (Benzenamine, 2,3-dimethyl-, sulfate (1:1))
286410-35-3 structure
Product Name:Benzenamine, 2,3-dimethyl-, sulfate (1:1)
CAS No:286410-35-3
MF:C8H13NO4S
MW:219.25812125206
CID:1435813
PubChem ID:69256962
Update Time:2025-04-20
Benzenamine, 2,3-dimethyl-, sulfate (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2,3-dimethyl-, sulfate (1:1)
- 2,3-dimethylaniline,sulfuric acid
- SCHEMBL4958444
- DTXSID20740118
- Sulfuric acid--2,3-dimethylaniline (1/1)
- 286410-35-3
-
- Inchi： 1S/C8H11N.H2O4S/c1-6-4-3-5-8(9)7(6)2;1-5(2,3)4/h3-5H,9H2,1-2H3;(H2,1,2,3,4)
- InChI Key： QNGCBPWJNWJRAL-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(O)O.NC1=CC=CC(C)=C1C
Computed Properties
- Exact Mass: 219.05659
- Monoisotopic Mass: 219.05652907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 172
- 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: 109?2
Experimental Properties
- PSA: 100.62
Benzenamine, 2,3-dimethyl-, sulfate (1:1) Related Literature
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
286410-35-3 (Benzenamine, 2,3-dimethyl-, sulfate (1:1)) Related Products
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