Cas no 61939-70-6 (5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-amine)
![5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-amine structure](https://ossimg.kuujia.com/scimg/62000/61939-70-6x500.png)
61939-70-6 structure
Product Name:5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-amine
CAS No:61939-70-6
MF:C16H20N6O
MW:312.369602203369
CID:1632217
PubChem ID:6410488
Update Time:2025-04-21
5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-amine Chemical and Physical Properties
Names and Identifiers
-
- 5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-amine
- 5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazin-8-amine
- BRN 1090518
- AKOS005027861
- HMS3538N12
- 5-methyl-3-(4-methyl-1-piperazinyl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-amine
- 5H-Pyridazino(3,4-b)(1,4)benzoxazine, 8-amino-5-methyl-3-(4-methyl-1-piperazinyl)-
- CHEMBL4890795
- DTXSID50210975
- 8-Amino-5-methyl-3-(4-methyl-1-piperazinyl)-5H-pyridazino(3,4-b)(1,4)benzoxazine
- 2-(4-Methylpiperazinyl-1)-7-amino-10-methyl-3,4-diazaphenoxazine
- 61939-70-6
- CCG-278932
-
- Inchi： 1S/C16H20N6O/c1-20-5-7-22(8-6-20)15-10-13-16(19-18-15)23-14-9-11(17)3-4-12(14)21(13)2/h3-4,9-10H,5-8,17H2,1-2H3
- InChI Key： NGKLMHJPBKDIFN-UHFFFAOYSA-N
- SMILES： O1C2C=C(C=CC=2N(C)C2C1=NN=C(C=2)N1CCN(C)CC1)N
Computed Properties
- Exact Mass: 312.1701
- Monoisotopic Mass: 312.169859
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 415
- 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: 70.8
- XLogP3: 1.1
Experimental Properties
- Density: 1.3
- Boiling Point: 600.3°C at 760 mmHg
- Flash Point: 316.9°C
- Refractive Index: 1.653
- PSA: 70.75
5-methyl-3-(4-methylpiperazin-1-yl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-amine Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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