Cas no 193413-16-0 (Methanimidamide,N-(4-methyl-2-pyridinyl)-)
193413-16-0 structure
Product Name:Methanimidamide,N-(4-methyl-2-pyridinyl)-
CAS No:193413-16-0
MF:C7H9N3
MW:135.166460752487
CID:116374
Update Time:2024-01-24
Methanimidamide,N-(4-methyl-2-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanimidamide,N-(4-methyl-2-pyridinyl)-
- Methanimidamide, N-(4-methyl-2-pyridinyl)- (9CI)
- N'-(4-methylpyridin-2-yl)methanimidamide
- Methanimidamide, N-(4-methyl-2-pyridinyl)-
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- Inchi： 1S/C7H9N3/c1-6-2-3-9-7(4-6)10-5-8/h2-5H,1H3,(H2,8,9,10)
- InChI Key： FIWHLWSDWODBMY-UHFFFAOYSA-N
- SMILES： C(NC1=NC=CC(C)=C1)=N
Computed Properties
- Exact Mass: 135.07977
- Monoisotopic Mass: 135.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 122
- 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: 51.3A^2
Experimental Properties
- Density: 1.10±0.1 g/cm3(Predicted)
- Boiling Point: 228.5±42.0 °C(Predicted)
- PSA: 48.77
- pka: 7.00±0.50(Predicted)
Methanimidamide,N-(4-methyl-2-pyridinyl)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
193413-16-0 (Methanimidamide,N-(4-methyl-2-pyridinyl)-) Related Products
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