Cas no 5451-44-5 (1H-1,4-Diazepine,hexahydro-1,4-bis(phenylsulfonyl)-)
5451-44-5 structure
Product Name:1H-1,4-Diazepine,hexahydro-1,4-bis(phenylsulfonyl)-
CAS No:5451-44-5
MF:C17H20N2O4S2
MW:380.481701850891
CID:379849
PubChem ID:227136
Update Time:2025-04-19
1H-1,4-Diazepine,hexahydro-1,4-bis(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,4-Diazepine,hexahydro-1,4-bis(phenylsulfonyl)-
- 1,4-bis(benzenesulfonyl)-1,4-diazepane
- hexahydro-1,4-bis(phenylsulfonyl)-1H-1,4-Diazepine
- 1,4-bis(phenylsulfonyl)-1,4-diazepane
- 1,4-bis-benzenesulfonyl-hexahydro-[1,4]diazepine
- 1,4-Bis-benzolsulfonyl-hexahydro-[1,4]diazepin
- AC1L5F9T
- AC1Q6UPY
- ChemDiv3_005447
- N,N'-Di(phenylsulphonyl)hexahydro-1,4-diazepin
- NSC18427
- Oprea1_342294
- NSC-47972
- IDI1_023357
- HMS1488H13
- SMR000558638
- HMS2877K03
- AKOS001686047
- MLS001196092
- DTXSID30280737
- BRD-K95518767-001-01-3
- 5451-44-5
- Z223304294
- 1h-1,4-diazepine, hexahydro-1,4-bis(phenylsulfonyl)-
- NSC47972
- AF-684/00248035
- CHEMBL2135911
- NSC-18427
- CCG-24208
-
- Inchi： 1S/C17H20N2O4S2/c20-24(21,16-8-3-1-4-9-16)18-12-7-13-19(15-14-18)25(22,23)17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2
- InChI Key： FCGCYYIJRZRGDT-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(N1CCCN(CC1)S(C1C=CC=CC=1)(=O)=O)(=O)=O
Computed Properties
- Exact Mass: 380.0866
- Monoisotopic Mass: 380.086
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 569
- 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
- Topological Polar Surface Area: 91.5?2
Experimental Properties
- Density: 1.354 ?
- Boiling Point: 562.2 ℃ at 760mmHg
- Flash Point: 293.8 ℃
- Refractive Index: 1.614??????????????????????????????
- PSA: 74.76
1H-1,4-Diazepine,hexahydro-1,4-bis(phenylsulfonyl)- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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