Cas no 801156-87-6 (Acetaldehyde,2-[(2-amino-1,6-dihydro-1-methyl-5-nitro-6-oxo-4-pyrimidinyl)amino]-)
![Acetaldehyde,2-[(2-amino-1,6-dihydro-1-methyl-5-nitro-6-oxo-4-pyrimidinyl)amino]- structure](https://ossimg.kuujia.com/scimg/801500/801156-87-6x500.png)
801156-87-6 structure
Product Name:Acetaldehyde,2-[(2-amino-1,6-dihydro-1-methyl-5-nitro-6-oxo-4-pyrimidinyl)amino]-
CAS No:801156-87-6
MF:C7H9N5O4
MW:227.177460432053
CID:712791
PubChem ID:45097985
Update Time:2025-04-19
Acetaldehyde,2-[(2-amino-1,6-dihydro-1-methyl-5-nitro-6-oxo-4-pyrimidinyl)amino]- Chemical and Physical Properties
Names and Identifiers
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- Acetaldehyde,2-[(2-amino-1,6-dihydro-1-methyl-5-nitro-6-oxo-4-pyrimidinyl)amino]-
- Acetaldehyde,[(2-amino-1,6-dihydro-1-methyl-5-nitro-6-oxo-4-pyrimidinyl)amino]- (8CI)
- [(2-Amino-1-methyl-5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]acetaldehyde
- 801156-87-6
- ACETALDEHYDE,[(2-AMINO-1,6-DIHYDRO-1-METHYL-5-NITRO-6-OXO-PYRIMIDIN-4-YL)AMINO]-
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- Inchi： 1S/C7H9N5O4/c1-11-6(14)4(12(15)16)5(9-2-3-13)10-7(11)8/h3,9H,2H2,1H3,(H2,8,10)
- InChI Key： OPYLJLAJVLGJNV-UHFFFAOYSA-N
- SMILES： O=C1C(=C(N=C(N)N1C)NCC=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 227.065
- Monoisotopic Mass: 227.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 408
- 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: 134A^2
- XLogP3: -0.8
Acetaldehyde,2-[(2-amino-1,6-dihydro-1-methyl-5-nitro-6-oxo-4-pyrimidinyl)amino]- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
801156-87-6 (Acetaldehyde,2-[(2-amino-1,6-dihydro-1-methyl-5-nitro-6-oxo-4-pyrimidinyl)amino]-) Related Products
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