Cas no 181294-57-5 (2-Propenal, 2-nitro-3-(propylamino)-)
181294-57-5 structure
Product Name:2-Propenal, 2-nitro-3-(propylamino)-
CAS No:181294-57-5
MF:C6H10N2O3
MW:158.155201435089
CID:1372759
PubChem ID:71353309
Update Time:2025-04-20
2-Propenal, 2-nitro-3-(propylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenal, 2-nitro-3-(propylamino)-
- 2-nitro-3-(propylamino)prop-2-enal
- 3-propylamino-2-nitropropenal
- DTXSID50778060
- 181294-57-5
-
- Inchi： 1S/C6H10N2O3/c1-2-3-7-4-6(5-9)8(10)11/h4-5,7H,2-3H2,1H3
- InChI Key： JZWHLYUSJXNAGG-UHFFFAOYSA-N
- SMILES： [O-][N+](C(C=O)=CNCCC)=O
Computed Properties
- Exact Mass: 158.06900
- Monoisotopic Mass: 158.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.4
- Topological Polar Surface Area: 74.9?2
Experimental Properties
- PSA: 74.92000
- LogP: 1.21710
2-Propenal, 2-nitro-3-(propylamino)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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