Cas no 70301-64-3 (5-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-5,6-dihydropyridazino[3,4-b][1,4]benzoxazepine)
![5-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-5,6-dihydropyridazino[3,4-b][1,4]benzoxazepine structure](https://ossimg.kuujia.com/scimg/70500/70301-64-3x500.png)
70301-64-3 structure
Product Name:5-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-5,6-dihydropyridazino[3,4-b][1,4]benzoxazepine
CAS No:70301-64-3
MF:C23H25N5O2
MW:403.476904630661
CID:1743083
PubChem ID:6410571
Update Time:2025-04-21
5-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-5,6-dihydropyridazino[3,4-b][1,4]benzoxazepine Chemical and Physical Properties
Names and Identifiers
-
- 5-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-5,6-dihydropyridazino[3,4-b][1,4]benzoxazepine
- 5-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine
- 70301-64-3
- DTXSID50220579
- BRN 1093886
- Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-(p-methoxyphenyl)-2-(4-methyl-1-piperazinyl)-
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- Inchi： 1S/C23H25N5O2/c1-26-11-13-27(14-12-26)22-15-20-23(25-24-22)30-21-6-4-3-5-17(21)16-28(20)18-7-9-19(29-2)10-8-18/h3-10,15H,11-14,16H2,1-2H3
- InChI Key： YBEJPRVFWILFMY-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2CN(C2C=CC(=CC=2)OC)C2C1=NN=C(C=2)N1CCN(C)CC1
Computed Properties
- Exact Mass: 403.20105
- Monoisotopic Mass: 403.200825
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 3
- Complexity: 550
- 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: 3.2
Experimental Properties
- Density: 1.245
- Boiling Point: 648.5°C at 760 mmHg
- Flash Point: 346°C
- Refractive Index: 1.626
- PSA: 53.96
5-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-5,6-dihydropyridazino[3,4-b][1,4]benzoxazepine Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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