Cas no 88948-20-3 (Benzenamine, 4,4'-(phenylmethylene)bis[3-nitro-)
88948-20-3 structure
Product Name:Benzenamine, 4,4'-(phenylmethylene)bis[3-nitro-
CAS No:88948-20-3
MF:C19H16N4O4
MW:364.35474395752
CID:618838
PubChem ID:13184839
Update Time:2025-04-19
Benzenamine, 4,4'-(phenylmethylene)bis[3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 4-[(4-amino-2-nitrophenyl)-phenylmethyl]-3-nitroaniline
- DTXSID10525658
- 88948-20-3
- 4,4'-(Phenylmethylene)bis(3-nitroaniline)
- Benzenamine, 4,4'-(phenylmethylene)bis[3-nitro-
-
- Inchi: 1S/C19H16N4O4/c20-13-6-8-15(17(10-13)22(24)25)19(12-4-2-1-3-5-12)16-9-7-14(21)11-18(16)23(26)27/h1-11,19H,20-21H2
- InChI Key: BRGHHVNMYXDZIU-UHFFFAOYSA-N
- SMILES: [O-][N+](C1C=C(C=CC=1C(C1C=CC=CC=1)C1C=CC(=CC=1[N+](=O)[O-])N)N)=O
Computed Properties
- Exact Mass: 364.11715500g/mol
- Monoisotopic Mass: 364.11715500g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 491
- 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: 3.6
- Topological Polar Surface Area: 144?2
Benzenamine, 4,4'-(phenylmethylene)bis[3-nitro- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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