Cas no 80749-14-0 (3-Pyridinecarbonitrile,5-amino-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-)
80749-14-0 structure
Product Name:3-Pyridinecarbonitrile,5-amino-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
CAS No:80749-14-0
MF:C8H9N3O2
MW:179.175961256027
CID:707799
Update Time:2024-02-04
3-Pyridinecarbonitrile,5-amino-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarbonitrile,5-amino-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
- 3-Pyridinecarbonitrile, 5-amino-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
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- Inchi： 1S/C8H9N3O2/c1-4-5(3-9)7(12)11(2)8(13)6(4)10/h13H,10H2,1-2H3
- InChI Key： GTDAXWDGAPIFJM-UHFFFAOYSA-N
- SMILES： C1(=O)N(C)C(O)=C(N)C(C)=C1C#N
Computed Properties
- Exact Mass: 179.069
- Monoisotopic Mass: 179.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 383
- 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: 90.4A^2
Experimental Properties
- Density: 1.40±0.1 g/cm3(Predicted)
- Boiling Point: 241.6±40.0 °C(Predicted)
- pka: 0.70±0.58(Predicted)
3-Pyridinecarbonitrile,5-amino-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
80749-14-0 (3-Pyridinecarbonitrile,5-amino-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-) Related Products
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