Cas no 34062-77-6 (Benzamide, N,N'-1,4-butanediylbis[4-nitro-)
34062-77-6 structure
Product Name:Benzamide, N,N'-1,4-butanediylbis[4-nitro-
CAS No:34062-77-6
MF:C18H18N4O6
MW:386.358724117279
CID:1461440
PubChem ID:4295048
Update Time:2025-04-20
Benzamide, N,N'-1,4-butanediylbis[4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 4-nitro-N-[4-[(4-nitrobenzoyl)amino]butyl]benzamide
- ST50752428
- AKOS002249893
- N,N'-butane-1,4-diylbis(4-nitrobenzamide)
- 34062-77-6
- DTXSID00401654
- STK444670
- CHEMBL4567423
- Benzamide, N,N'-1,4-butanediylbis[4-nitro-
-
- Inchi： 1S/C18H18N4O6/c23-17(13-3-7-15(8-4-13)21(25)26)19-11-1-2-12-20-18(24)14-5-9-16(10-6-14)22(27)28/h3-10H,1-2,11-12H2,(H,19,23)(H,20,24)
- InChI Key： XNOBJDFFNIHUAI-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)[N+](=O)[O-])NCCCCNC(C1C=CC(=CC=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 386.12274
- Monoisotopic Mass: 386.12263431g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 7
- Complexity: 507
- 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: 2.5
- Topological Polar Surface Area: 150?2
Experimental Properties
- PSA: 144.48
Benzamide, N,N'-1,4-butanediylbis[4-nitro- Related Literature
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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