Cas no 97879-87-3 (4,6-Dinitro-N~1~,N~3~-dioctadecylbenzene-1,3-diamine)
97879-87-3 structure
Product Name:4,6-Dinitro-N~1~,N~3~-dioctadecylbenzene-1,3-diamine
CAS No:97879-87-3
MF:C42H78N4O4
MW:703.09313249588
CID:2820397
Update Time:2023-08-07
4,6-Dinitro-N~1~,N~3~-dioctadecylbenzene-1,3-diamine Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzenediamine, 4,6-dinitro-N,N'-dioctadecyl-
- N,N'-dioctadecyl-2,4-dinitro-1,5-diaminobenzene
- N,N'-Bisoctadecyl-4,6-dinitro-1,3-benzenediamine
- 4,6-Dinitro-N~1~,N~3~-dioctadecylbenzene-1,3-diamine
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- Inchi： 1S/C42H78N4O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43-39-37-40(42(46(49)50)38-41(39)45(47)48)44-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,43-44H,3-36H2,1-2H3
- InChI Key： QASUHDDPPNQHGT-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C(=CC=1NCCCCCCCCCCCCCCCCCC)NCCCCCCCCCCCCCCCCCC)[N+](=O)[O-])=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 50
- Rotatable Bond Count: 36
- Complexity: 699
- XLogP3: 20.3
- Topological Polar Surface Area: 116
4,6-Dinitro-N~1~,N~3~-dioctadecylbenzene-1,3-diamine 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
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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