Cas no 802899-81-6 (3H-Pyrazol-3-one,1-acetyl-5-(aminomethyl)-1,2-dihydro-)
802899-81-6 structure
Product Name:3H-Pyrazol-3-one,1-acetyl-5-(aminomethyl)-1,2-dihydro-
CAS No:802899-81-6
MF:C6H9N3O2
MW:155.154560804367
CID:714010
PubChem ID:45121265
Update Time:2025-04-19
3H-Pyrazol-3-one,1-acetyl-5-(aminomethyl)-1,2-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one,1-acetyl-5-(aminomethyl)-1,2-dihydro-
- 3-Pyrazolin-5-one, 2-acetyl-3-(aminomethyl)- (8CI)
- 1-Acetyl-5-(aminomethyl)-1H-pyrazol-3(2H)-one
- 802899-81-6
-
- Inchi： 1S/C6H9N3O2/c1-4(10)9-5(3-7)2-6(11)8-9/h2H,3,7H2,1H3,(H,8,11)
- InChI Key： JASQIQKRWFLZHP-UHFFFAOYSA-N
- SMILES： O=C1C=C(CN)N(C(C)=O)N1
Computed Properties
- Exact Mass: 155.069
- Monoisotopic Mass: 155.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 234
- 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
- Topological Polar Surface Area: 75.4A^2
- XLogP3: -2
3H-Pyrazol-3-one,1-acetyl-5-(aminomethyl)-1,2-dihydro- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
802899-81-6 (3H-Pyrazol-3-one,1-acetyl-5-(aminomethyl)-1,2-dihydro-) Related Products
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