Cas no 62637-15-4 (1-[5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-yl]ethanone)
![1-[5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-yl]ethanone structure](https://ossimg.kuujia.com/scimg/63000/62637-15-4x500.png)
62637-15-4 structure
Product Name:1-[5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-yl]ethanone
CAS No:62637-15-4
MF:C18H21N5O2
MW:339.391643285751
CID:1638970
PubChem ID:6410494
Update Time:2025-04-21
1-[5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-yl]ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-[5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-yl]ethanone
- 1-[5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazin-8-yl]ethanone
- 5H-Pyridazino(3,4-b)(1,4)benzoxazine, 7-acetyl-10-methyl-2-(4-methylpiperazin-1-yl)-
- DTXSID10211685
- BRN 1093211
- 62637-15-4
- 7-Acetyl-10-methyl-2-(4-methylpiperazin-1-yl)-5H-pyridazino(3,4-b)(1,4)benzoxazine
-
- Inchi： 1S/C18H21N5O2/c1-12(24)13-4-5-14-16(10-13)25-18-15(22(14)3)11-17(19-20-18)23-8-6-21(2)7-9-23/h4-5,10-11H,6-9H2,1-3H3
- InChI Key： QQVDMLGQPOXWRX-UHFFFAOYSA-N
- SMILES： O1C2C=C(C(C)=O)C=CC=2N(C)C2C1=NN=C(C=2)N1CCN(C)CC1
Computed Properties
- Exact Mass: 339.16973
- Monoisotopic Mass: 339.169525
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 496
- 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: 61.8
- XLogP3: 1.4
Experimental Properties
- Density: 1.259
- Boiling Point: 590.7°C at 760 mmHg
- Flash Point: 311.1°C
- Refractive Index: 1.612
- PSA: 61.8
1-[5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-yl]ethanone Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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