Cas no 161419-63-2 (1H-Purine-2,6-dione, 1-butyl-3,7-dihydro-3-(phenylmethyl)-)
161419-63-2 structure
Product Name:1H-Purine-2,6-dione, 1-butyl-3,7-dihydro-3-(phenylmethyl)-
CAS No:161419-63-2
MF:C16H18N4O2
MW:298.339723110199
CID:1341054
Update Time:2024-08-17
1H-Purine-2,6-dione, 1-butyl-3,7-dihydro-3-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Purine-2,6-dione, 1-butyl-3,7-dihydro-3-(phenylmethyl)-
- 1H-Purine-2,6-dione, 1-butyl-3,9-dihydro-3-(phenylmethyl)-
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- Inchi： 1S/C16H18N4O2/c1-2-3-9-19-15(21)13-14(18-11-17-13)20(16(19)22)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,17,18)
- InChI Key： MKXAPFXXDKBXAK-UHFFFAOYSA-N
- SMILES： N1C2=C(N(CC3=CC=CC=C3)C(=O)N(CCCC)C2=O)NC=1
Computed Properties
- Exact Mass: 298.14314
Experimental Properties
- Density: 1.286±0.06 g/cm3(Predicted)
- Boiling Point: 549.9±52.0 °C(Predicted)
- PSA: 69.3
- pka: 8.24±0.70(Predicted)
1H-Purine-2,6-dione, 1-butyl-3,7-dihydro-3-(phenylmethyl)- Related Literature
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1. Agricultural
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
161419-63-2 (1H-Purine-2,6-dione, 1-butyl-3,7-dihydro-3-(phenylmethyl)-) Related Products
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