Cas no 129696-67-9 (1-Naphthalenecarbonitrile, 4-(1H-imidazol-1-ylmethyl)-)
129696-67-9 structure
Product Name:1-Naphthalenecarbonitrile, 4-(1H-imidazol-1-ylmethyl)-
CAS No:129696-67-9
MF:C15H11N3
MW:233.267942667007
CID:1225119
Update Time:2024-08-03
1-Naphthalenecarbonitrile, 4-(1H-imidazol-1-ylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1-Naphthalenecarbonitrile, 4-(1H-imidazol-1-ylmethyl)-
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- Inchi： 1S/C15H11N3/c16-9-12-5-6-13(10-18-8-7-17-11-18)15-4-2-1-3-14(12)15/h1-8,11H,10H2
- InChI Key： BLSYBYJHHMRCSI-UHFFFAOYSA-N
- SMILES： C1(C#N)=C2C(C=CC=C2)=C(CN2C=NC=C2)C=C1
Computed Properties
- Exact Mass: 233.09543
Experimental Properties
- Density: 1.16±0.1 g/cm3(Predicted)
- Boiling Point: 493.1±28.0 °C(Predicted)
- PSA: 41.61
- pka: 6.55±0.12(Predicted)
1-Naphthalenecarbonitrile, 4-(1H-imidazol-1-ylmethyl)- Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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