Cas no 13442-16-5 (4-Quinolinamine,N-hydroxy-7-nitro-, 1-oxide)
13442-16-5 structure
Product Name:4-Quinolinamine,N-hydroxy-7-nitro-, 1-oxide
CAS No:13442-16-5
MF:C9H7N3O4
MW:221.169581651688
CID:168853
Update Time:2024-01-25
4-Quinolinamine,N-hydroxy-7-nitro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 4-Quinolinamine,N-hydroxy-7-nitro-, 1-oxide
- (4E)-4-(Hydroxyimino)-7-nitro-1(4H)-quinolinol
- 7-Nitro-4-hydroxylaminoquinoline 1-oxide
- 2(1H)-Quinolinone, 4-hydroxy-1-methyl-7-nitro-
- 7-nitro-4-hydroxy-1-methyl-2(1H)-quinolinone
- 7-nitro-4-hydroxy-1-methylquinolin-2(1H)-one
- 7-Nitro-4-hydroxyamino-chinolin-1-oxid
- ACMC-20mpej
- CTK0C3549
- N-(7-nitro-1-oxy-quinolin-4-yl)-hydroxylamine
- SureCN7997074
- 4-(Hydroxyamino)-7-nitroquinoline 1-oxide
- 4-Quinolinamine, N-hydroxy-7-nitro-, 1-oxide
-
- Inchi: 1S/C9H7N3O4/c13-10-8-3-4-11(14)9-5-6(12(15)16)1-2-7(8)9/h1-5,10,13H
- InChI Key: ZXPZKFSTBSCCMT-UHFFFAOYSA-N
- SMILES: [N+]1([O-])=C2C(C=CC([N+]([O-])=O)=C2)=C(NO)C=C1
Computed Properties
- Exact Mass: 221.04371
- Monoisotopic Mass: 221.043656
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 349
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 102
Experimental Properties
- Density: 1.4532 (rough estimate)
- Melting Point: 207 °C
- Boiling Point: 362.22°C (rough estimate)
- Flash Point: 219.1°C
- Refractive Index: 1.6500 (estimate)
- PSA: 99.2
- pka: 8.18±0.30(Predicted)
4-Quinolinamine,N-hydroxy-7-nitro-, 1-oxide Related Literature
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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