Cas no 61295-71-4 ( )
structure
Product Name:
CAS No:61295-71-4
MF:C18H24N2O4S2
MW:396.52416229248
CID:954284
PubChem ID:228380
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- N-[4-[benzenesulfonyl(methyl)amino]butyl]-N-methylbenzenesulfonamide
- AC1L5G6N
- AC1Q6V9M
- AR-1K1663
- n,n'-butane-1,4-diylbis(n-methylbenzenesulfonamide)
- N,N'-Dimethyl-N,N'-butandiyl-bis-benzolsulfonamid
- N,N'-dimethyl-N,N'-butanediyl-bis-benzenesulfonamide
- N-[4-(BENZENESULFONYL-METHYL-AMINO)BUTYL]-N-METHYL-BENZENESULFONAMIDE
- NSC21258
- NSC-21258
- N,N'-(Butane-1,4-diyl)bis(N-methylbenzenesulfonamide)
- 61295-71-4
- DTXSID80281315
-
-
- Inchi： 1S/C18H24N2O4S2/c1-19(25(21,22)17-11-5-3-6-12-17)15-9-10-16-20(2)26(23,24)18-13-7-4-8-14-18/h3-8,11-14H,9-10,15-16H2,1-2H3
- InChI Key： DBQDNBORUXVDDS-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(N(C)CCCCN(C)S(C1C=CC=CC=1)(=O)=O)(=O)=O
Computed Properties
- Exact Mass: 396.11792
- Monoisotopic Mass: 396.118
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 9
- Complexity: 555
- 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
- XLogP3: 2.6
- Topological Polar Surface Area: 91.5?2
Experimental Properties
- Density: 1.261
- Boiling Point: 556.7°C at 760 mmHg
- Flash Point: 290.5°C
- Refractive Index: 1.58
- PSA: 83.55
- LogP: 4.56960
Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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