Cas no 64145-31-9 (2(1H)-Pyrazinone, 6-(3-aminopropyl)-3-(2-methylpropyl)-)
64145-31-9 structure
Product Name:2(1H)-Pyrazinone, 6-(3-aminopropyl)-3-(2-methylpropyl)-
CAS No:64145-31-9
MF:C11H19N3O
MW:209.288062334061
CID:1678036
PubChem ID:14061130
Update Time:2025-04-21
2(1H)-Pyrazinone, 6-(3-aminopropyl)-3-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyrazinone, 6-(3-aminopropyl)-3-(2-methylpropyl)-
- 6-(3-aminopropyl)-3-(2-methylpropyl)-1H-pyrazin-2-one
- 6-(3-Aminopropyl)-3-(2-methylpropyl)pyrazin-2(1H)-one
- DTXSID40555206
- 64145-31-9
-
- Inchi： 1S/C11H19N3O/c1-8(2)6-10-11(15)14-9(7-13-10)4-3-5-12/h7-8H,3-6,12H2,1-2H3,(H,14,15)
- InChI Key： URLUWMFCMBEPIW-UHFFFAOYSA-N
- SMILES： O=C1C(CC(C)C)=NC=C(CCCN)N1
Computed Properties
- Exact Mass: 209.15297
- Monoisotopic Mass: 209.152812238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 292
- 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: 0.2
- Topological Polar Surface Area: 67.5?2
Experimental Properties
- PSA: 67.48
2(1H)-Pyrazinone, 6-(3-aminopropyl)-3-(2-methylpropyl)- Related Literature
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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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