Cas no 87581-14-4 (Benzamide,4-nitro-N-[3-[[4-[(4-nitrobenzoyl)amino]butyl]amino]propyl]-)
![Benzamide,4-nitro-N-[3-[[4-[(4-nitrobenzoyl)amino]butyl]amino]propyl]- structure](https://ossimg.kuujia.com/scimg/88000/87581-14-4x500.png)
87581-14-4 structure
Product Name:Benzamide,4-nitro-N-[3-[[4-[(4-nitrobenzoyl)amino]butyl]amino]propyl]-
CAS No:87581-14-4
MF:C21H25N5O6
MW:443.453104734421
CID:725716
Update Time:2024-01-31
Benzamide,4-nitro-N-[3-[[4-[(4-nitrobenzoyl)amino]butyl]amino]propyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,4-nitro-N-[3-[[4-[(4-nitrobenzoyl)amino]butyl]amino]propyl]-
- 4-nitro-N-[4-[3-[(4-nitrobenzoyl)amino]propylamino]butyl]benzamide
- N(1),N(10)-bis(4-nitrobenzoyl)spermidine
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- Inchi： 1S/C21H25N5O6/c27-20(16-4-8-18(9-5-16)25(29)30)23-14-2-1-12-22-13-3-15-24-21(28)17-6-10-19(11-7-17)26(31)32/h4-11,22H,1-3,12-15H2,(H,23,27)(H,24,28)
- InChI Key： CITGVVGNJAJBKW-UHFFFAOYSA-N
- SMILES： C(NCCCCNCCCNC(=O)C1=CC=C([N+]([O-])=O)C=C1)(=O)C1=CC=C([N+]([O-])=O)C=C1
Computed Properties
- Exact Mass: 443.180484
- Monoisotopic Mass: 443.180484
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 32
- Rotatable Bond Count: 11
- Complexity: 619
- 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
- Topological Polar Surface Area: 162
Experimental Properties
- Density: 1.281
- Boiling Point: 736.4°C at 760 mmHg
- Flash Point: 399.2°C
- Refractive Index: 1.594
Benzamide,4-nitro-N-[3-[[4-[(4-nitrobenzoyl)amino]butyl]amino]propyl]- Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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