Cas no 63205-49-2 (7-benzyl-4-chloro-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine)
![7-benzyl-4-chloro-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine structure](https://ossimg.kuujia.com/scimg/63500/63205-49-2x500.png)
63205-49-2 structure
Product Name:7-benzyl-4-chloro-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CAS No:63205-49-2
MF:C16H18ClN3
MW:287.787222385406
CID:1066598
Update Time:2024-07-19
7-benzyl-4-chloro-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine Chemical and Physical Properties
Names and Identifiers
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- 7-benzyl-4-chloro-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
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- Inchi： 1S/C16H18ClN3/c1-12-18-15-8-10-20(9-7-14(15)16(17)19-12)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
- InChI Key： QBQMGNFMWHQCCF-UHFFFAOYSA-N
- SMILES： N1(CC2=CC=CC=C2)CCC2=C(Cl)N=C(C)N=C2CC1
Computed Properties
- Exact Mass: 287.11914
Experimental Properties
- PSA: 29.02
7-benzyl-4-chloro-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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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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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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