Cas no 62637-28-9 (8-ethoxy-5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazine)
![8-ethoxy-5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazine structure](https://ossimg.kuujia.com/scimg/63000/62637-28-9x500.png)
62637-28-9 structure
Product Name:8-ethoxy-5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazine
CAS No:62637-28-9
MF:C18H23N5O2
MW:341.407523393631
CID:1638858
PubChem ID:6410499
Update Time:2025-04-21
8-ethoxy-5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazine Chemical and Physical Properties
Names and Identifiers
-
- 8-ethoxy-5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazine
- 8-ethoxy-5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine
- BRN 1091733
- 7-Ethoxy-10-methyl-2-(4-methylpiperazin-1-yl)-5H-pyridazino(3,4-b)(1,4)benzoxazine
- 62637-28-9
- 5H-Pyridazino(3,4-b)(1,4)benzoxazine, 7-ethoxy-10-methyl-2-(4-methylpiperazin-1-yl)-
- DTXSID60211690
-
- Inchi： 1S/C18H23N5O2/c1-4-24-13-5-6-14-16(11-13)25-18-15(22(14)3)12-17(19-20-18)23-9-7-21(2)8-10-23/h5-6,11-12H,4,7-10H2,1-3H3
- InChI Key： TUBWLNXTIJPBLY-UHFFFAOYSA-N
- SMILES： O1C2C=C(C=CC=2N(C)C2C1=NN=C(C=2)N1CCN(C)CC1)OCC
Computed Properties
- Exact Mass: 341.18539
- Monoisotopic Mass: 341.185175
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 445
- 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: 54
- XLogP3: 2.1
Experimental Properties
- Density: 1.226
- Boiling Point: 570.4°C at 760 mmHg
- Flash Point: 298.8°C
- Refractive Index: 1.598
- PSA: 53.96
8-ethoxy-5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazine Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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