Cas no 101588-78-7 (1,5-Pentanediamine, N,N'-bis(4-nitrophenyl)-)
101588-78-7 structure
Product Name:1,5-Pentanediamine, N,N'-bis(4-nitrophenyl)-
CAS No:101588-78-7
MF:C17H20N4O4
MW:344.365103721619
CID:1129571
PubChem ID:58611255
Update Time:2025-04-20
1,5-Pentanediamine, N,N'-bis(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,5-Pentanediamine, N,N'-bis(4-nitrophenyl)-
- N,N'-bis(4-nitrophenyl)pentane-1,5-diamine
- DTXSID30729494
- 101588-78-7
- SCHEMBL14117517
- N~1~,N~5~-Bis(4-nitrophenyl)pentane-1,5-diamine
-
- Inchi： 1S/C17H20N4O4/c22-20(23)16-8-4-14(5-9-16)18-12-2-1-3-13-19-15-6-10-17(11-7-15)21(24)25/h4-11,18-19H,1-3,12-13H2
- InChI Key： QYQIKFWYWXMYCT-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)NCCCCCNC1C=CC(=CC=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 344.1486
- Monoisotopic Mass: 344.14845513g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 8
- Complexity: 370
- 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: 4.3
- Topological Polar Surface Area: 116?2
Experimental Properties
- PSA: 110.34
1,5-Pentanediamine, N,N'-bis(4-nitrophenyl)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
101588-78-7 (1,5-Pentanediamine, N,N'-bis(4-nitrophenyl)-) Related Products
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