Cas no 7167-46-6 (2-Propen-1-one,3-(5-nitro-1H-pyrrol-2-yl)-1-phenyl-)
7167-46-6 structure
Product Name:2-Propen-1-one,3-(5-nitro-1H-pyrrol-2-yl)-1-phenyl-
CAS No:7167-46-6
MF:C6H21N4
MW:149.257740736008
CID:579329
PubChem ID:5241822
Update Time:2025-04-19
2-Propen-1-one,3-(5-nitro-1H-pyrrol-2-yl)-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propen-1-one,3-(5-nitro-1H-pyrrol-2-yl)-1-phenyl-
- 2-[bis(2-azaniumylethyl)amino]ethylazanium
- DTXSID50412614
- 7167-46-6
-
- Inchi： 1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2/p+3
- InChI Key： MBYLVOKEDDQJDY-UHFFFAOYSA-Q
- SMILES： N(CC[NH3+])(CC[NH3+])CC[NH3+]
Computed Properties
- Exact Mass: 149.17683
- Monoisotopic Mass: 149.17662169g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 52.5
- 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: -2.6
- Topological Polar Surface Area: 86.2?2
Experimental Properties
- Boiling Point: 234.1°Cat760mmHg
- Flash Point: 94.5°C
- PSA: 86.16
2-Propen-1-one,3-(5-nitro-1H-pyrrol-2-yl)-1-phenyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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