Cas no 61830-27-1 (Acetamide, N,N'-(2,6-dimethyl-3,5-pyridinediyl)bis-)
61830-27-1 structure
Product Name:Acetamide, N,N'-(2,6-dimethyl-3,5-pyridinediyl)bis-
CAS No:61830-27-1
MF:C11H15N3O2
MW:221.255702257156
CID:465136
PubChem ID:12361232
Update Time:2025-04-19
Acetamide, N,N'-(2,6-dimethyl-3,5-pyridinediyl)bis- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, N,N'-(2,6-dimethyl-3,5-pyridinediyl)bis-
- N-(5-acetamido-2,6-dimethylpyridin-3-yl)acetamide
- 61830-27-1
- DTXSID80494100
- N,N'-(2,6-Dimethylpyridine-3,5-diyl)diacetamide
-
- Inchi： 1S/C11H15N3O2/c1-6-10(13-8(3)15)5-11(7(2)12-6)14-9(4)16/h5H,1-4H3,(H,13,15)(H,14,16)
- InChI Key： GQDWIYDKQUOHTE-UHFFFAOYSA-N
- SMILES： O=C(C)NC1=CC(=C(C)N=C1C)NC(C)=O
Computed Properties
- Exact Mass: 221.11655
- Monoisotopic Mass: 221.116426730g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 254
- 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: 0
- Topological Polar Surface Area: 71.1?2
Experimental Properties
- PSA: 71.09
Acetamide, N,N'-(2,6-dimethyl-3,5-pyridinediyl)bis- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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