Cas no 823786-21-6 (Benzonitrile, 4-[[4-[[4-(hydroxymethyl)-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]-)
![Benzonitrile, 4-[[4-[[4-(hydroxymethyl)-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]- structure](https://ossimg.kuujia.com/scimg/824000/823786-21-6x500.png)
823786-21-6 structure
Product Name:Benzonitrile, 4-[[4-[[4-(hydroxymethyl)-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]-
CAS No:823786-21-6
MF:C20H19N5O
MW:345.397763490677
CID:706622
PubChem ID:11359930
Update Time:2025-04-19
Benzonitrile, 4-[[4-[[4-(hydroxymethyl)-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-[[4-[[4-(hydroxymethyl)-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]-
- 4-[[4-[4-(hydroxymethyl)-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile
- AKOS015917850
- FT-0687644
- AGN-PC-007J6S
- 823786-21-6
- starbld0009497
- SCHEMBL21872272
- 4-((4-((4-(Hydroxymethyl)-2,6-dimethylphenyl)amino)pyrimidin-2-yl)amino)benzonitrile
- DTXSID70463562
-
- Inchi： 1S/C20H19N5O/c1-13-9-16(12-26)10-14(2)19(13)24-18-7-8-22-20(25-18)23-17-5-3-15(11-21)4-6-17/h3-10,26H,12H2,1-2H3,(H2,22,23,24,25)
- InChI Key： QYMDCCDRTJHJIB-UHFFFAOYSA-N
- SMILES： OCC1C=C(C)C(=C(C)C=1)NC1C=CN=C(NC2C=CC(C#N)=CC=2)N=1
Computed Properties
- Exact Mass: 345.15896025g/mol
- Monoisotopic Mass: 345.15896025g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 472
- 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: 3.5
- Topological Polar Surface Area: 93.9?2
Experimental Properties
- Density: 1.3
- Boiling Point: 601.8°C at 760 mmHg
- Flash Point: 317.7°C
- Refractive Index: 1.67
- PSA: 97.09000
- LogP: 3.43948
Benzonitrile, 4-[[4-[[4-(hydroxymethyl)-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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