Cas no 61472-01-3 (3-Pyridazinamine, N-1,3-benzodioxol-5-yl-6-methoxy-)
61472-01-3 structure
Product Name:3-Pyridazinamine, N-1,3-benzodioxol-5-yl-6-methoxy-
CAS No:61472-01-3
MF:C12H11N3O3
MW:245.234042406082
CID:478053
PubChem ID:12320367
Update Time:2025-04-19
3-Pyridazinamine, N-1,3-benzodioxol-5-yl-6-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridazinamine, N-1,3-benzodioxol-5-yl-6-methoxy-
- N-(1,3-benzodioxol-5-yl)-6-methoxypyridazin-3-amine
- 61472-01-3
- DTXSID00488420
- N-(Benzo[d][1,3]dioxol-5-yl)-6-methoxypyridazin-3-amine
- N-(2H-1,3-Benzodioxol-5-yl)-6-methoxypyridazin-3-amine
-
- Inchi： 1S/C12H11N3O3/c1-16-12-5-4-11(14-15-12)13-8-2-3-9-10(6-8)18-7-17-9/h2-6H,7H2,1H3,(H,13,14)
- InChI Key： ORTAVVRKZITYAT-UHFFFAOYSA-N
- SMILES： O1COC2C=CC(=CC1=2)NC1=CC=C(N=N1)OC
Computed Properties
- Exact Mass: 245.08013
- Monoisotopic Mass: 245.08004122g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 279
- 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
- XLogP3: 1.8
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- PSA: 65.5
3-Pyridazinamine, N-1,3-benzodioxol-5-yl-6-methoxy- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
61472-01-3 (3-Pyridazinamine, N-1,3-benzodioxol-5-yl-6-methoxy-) Related Products
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