Cas no 80198-26-1 (2,6-diamino-N,N-dibutyltoluene-4-sulphonamide)
80198-26-1 structure
Product Name:2,6-diamino-N,N-dibutyltoluene-4-sulphonamide
CAS No:80198-26-1
MF:C15H27N3O2S
MW:313.458782434464
CID:985244
PubChem ID:3018914
Update Time:2025-04-20
2,6-diamino-N,N-dibutyltoluene-4-sulphonamide Chemical and Physical Properties
Names and Identifiers
-
- 2,6-diamino-N,N-dibutyltoluene-4-sulphonamide
- 3,5-diamino-N,N-dibutyl-4-methylbenzenesulfonamide
- 3,5-Diamino-N,N-dibutyl-4-methylbenzene-1-sulfonamide
- SCHEMBL10859351
- EINECS 279-419-8
- NS00060795
- DTXSID501001098
- 80198-26-1
- QKJFIJCITRHJRN-UHFFFAOYSA-N
-
- Inchi： 1S/C15H27N3O2S/c1-4-6-8-18(9-7-5-2)21(19,20)13-10-14(16)12(3)15(17)11-13/h10-11H,4-9,16-17H2,1-3H3
- InChI Key： QKJFIJCITRHJRN-UHFFFAOYSA-N
- SMILES： S(C1C=C(C(C)=C(C=1)N)N)(N(CCCC)CCCC)(=O)=O
Computed Properties
- Exact Mass: 313.18239829g/mol
- Monoisotopic Mass: 313.18239829g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 8
- Complexity: 374
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.6
- Topological Polar Surface Area: 97.8?2
2,6-diamino-N,N-dibutyltoluene-4-sulphonamide Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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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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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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