Cas no 112088-74-1 (7H-Purine, 6-chloro-7-[(4-methylphenyl)methyl]-)
![7H-Purine, 6-chloro-7-[(4-methylphenyl)methyl]- structure](https://ossimg.kuujia.com/scimg/112500/112088-74-1x500.png)
112088-74-1 structure
Product Name:7H-Purine, 6-chloro-7-[(4-methylphenyl)methyl]-
CAS No:112088-74-1
MF:C13H11ClN4
MW:258.70624089241
CID:1199731
Update Time:2024-08-05
7H-Purine, 6-chloro-7-[(4-methylphenyl)methyl]- Chemical and Physical Properties
Names and Identifiers
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- 7H-Purine, 6-chloro-7-[(4-methylphenyl)methyl]-
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- Inchi： 1S/C13H11ClN4/c1-9-2-4-10(5-3-9)6-18-8-17-13-11(18)12(14)15-7-16-13/h2-5,7-8H,6H2,1H3
- InChI Key： HBKYGEJODYMXRS-UHFFFAOYSA-N
- SMILES： N1(CC2=CC=C(C)C=C2)C2C(=NC=NC=2Cl)N=C1
Computed Properties
- Exact Mass: 258.06743
Experimental Properties
- Density: 1.36±0.1 g/cm3(Predicted)
- Melting Point: 154-156 °C
- Boiling Point: 450.5±55.0 °C(Predicted)
- PSA: 43.6
- pka: 0.46±0.30(Predicted)
7H-Purine, 6-chloro-7-[(4-methylphenyl)methyl]- Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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