Cas no 62306-06-3 (Benzamide, 4-(ethylamino)-3-nitro-)
62306-06-3 structure
Product Name:Benzamide, 4-(ethylamino)-3-nitro-
CAS No:62306-06-3
MF:C9H11N3O3
MW:209.201941728592
CID:450010
PubChem ID:3708922
Update Time:2025-04-19
Benzamide, 4-(ethylamino)-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, 4-(ethylamino)-3-nitro-
- 4-(ethylamino)-3-nitrobenzamide
- JJDONAVASZMYRM-UHFFFAOYSA-N
- DTXSID90395336
- 62306-06-3
- AKOS008922737
- 3-nitro-4-(N-ethylamino)-benzamide
- 4-ETHYLAMINO-3-NITROBENZAMIDE
- SCHEMBL5674224
-
- Inchi： 1S/C9H11N3O3/c1-2-11-7-4-3-6(9(10)13)5-8(7)12(14)15/h3-5,11H,2H2,1H3,(H2,10,13)
- InChI Key： JJDONAVASZMYRM-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C(N)=O)C=CC=1NCC)=O
Computed Properties
- Exact Mass: 209.08013
- Monoisotopic Mass: 209.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 252
- 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: 1.6
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 98.26
Benzamide, 4-(ethylamino)-3-nitro- Related Literature
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
-
Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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