Cas no 89913-90-6 (2H-1,3-Diazepin-2-one, hexahydro-1,3-dipropyl-)
89913-90-6 structure
Product Name:2H-1,3-Diazepin-2-one, hexahydro-1,3-dipropyl-
CAS No:89913-90-6
MF:C11H22N2O
MW:198.305182933807
CID:585358
PubChem ID:13214689
Update Time:2025-04-19
2H-1,3-Diazepin-2-one, hexahydro-1,3-dipropyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,3-Diazepin-2-one, hexahydro-1,3-dipropyl-
- 1,3-dipropyl-1,3-diazepan-2-one
- DTXSID80528752
- 89913-90-6
- SCHEMBL10416569
-
- Inchi： 1S/C11H22N2O/c1-3-7-12-9-5-6-10-13(8-4-2)11(12)14/h3-10H2,1-2H3
- InChI Key： DOXOZWYPIBQNAB-UHFFFAOYSA-N
- SMILES： O=C1N(CCC)CCCCN1CCC
Computed Properties
- Exact Mass: 198.173213330g/mol
- Monoisotopic Mass: 198.173213330g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 164
- 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
- Topological Polar Surface Area: 23.6?2
2H-1,3-Diazepin-2-one, hexahydro-1,3-dipropyl- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
89913-90-6 (2H-1,3-Diazepin-2-one, hexahydro-1,3-dipropyl-) Related Products
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