Cas no 62599-44-4 (1H-Azepine, 1-(2,6-dimethyl-4-pyrimidinyl)hexahydro-)
62599-44-4 structure
Product Name:1H-Azepine, 1-(2,6-dimethyl-4-pyrimidinyl)hexahydro-
CAS No:62599-44-4
MF:C12H19N3
MW:205.299362421036
CID:438608
PubChem ID:71384790
Update Time:2025-04-19
1H-Azepine, 1-(2,6-dimethyl-4-pyrimidinyl)hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Azepine, 1-(2,6-dimethyl-4-pyrimidinyl)hexahydro-
- 1-(2,6-dimethylpyrimidin-4-yl)azepane
- 62599-44-4
- DTXSID50807041
-
- Inchi： 1S/C12H19N3/c1-10-9-12(14-11(2)13-10)15-7-5-3-4-6-8-15/h9H,3-8H2,1-2H3
- InChI Key： KEKRITZPNVMAJA-UHFFFAOYSA-N
- SMILES： N1(C2C=C(C)N=C(C)N=2)CCCCCC1
Computed Properties
- Exact Mass: 205.15807
- Monoisotopic Mass: 205.157897619g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 187
- 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: 2.7
- Topological Polar Surface Area: 29?2
Experimental Properties
- PSA: 29.02
1H-Azepine, 1-(2,6-dimethyl-4-pyrimidinyl)hexahydro- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
62599-44-4 (1H-Azepine, 1-(2,6-dimethyl-4-pyrimidinyl)hexahydro-) Related Products
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