Cas no 1160222-01-4 (3-(1,1-Dimethylbutyl)-5-isoxazolamine)
1160222-01-4 structure
Product Name:3-(1,1-Dimethylbutyl)-5-isoxazolamine
CAS No:1160222-01-4
MF:C9H16N2O
MW:168.236142158508
CID:2192387
Update Time:2023-08-07
3-(1,1-Dimethylbutyl)-5-isoxazolamine Chemical and Physical Properties
Names and Identifiers
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- 5-Isoxazolamine, 3-(1,1-dimethylbutyl)-
- 3-(1,1-DIMETHYLBUTYL)-5-ISOXAZOLAMINE
- 3-(1,1-Dimethylbutyl)-5-isoxazolamine
-
- Inchi： 1S/C9H16N2O/c1-4-5-9(2,3)7-6-8(10)12-11-7/h6H,4-5,10H2,1-3H3
- InChI Key： RAVFGLGCBRNACD-UHFFFAOYSA-N
- SMILES： O1C(=CC(C(C)(C)CCC)=N1)N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 148
- Topological Polar Surface Area: 52
3-(1,1-Dimethylbutyl)-5-isoxazolamine Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
1160222-01-4 (3-(1,1-Dimethylbutyl)-5-isoxazolamine) Related Products
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