Cas no 756761-22-5 (1,2-Benzisoxazole-3-methanamine,7-methyl-(9CI))
756761-22-5 structure
Product Name:1,2-Benzisoxazole-3-methanamine,7-methyl-(9CI)
CAS No:756761-22-5
MF:C9H10N2O
MW:162.188501834869
CID:549134
Update Time:2023-11-18
1,2-Benzisoxazole-3-methanamine,7-methyl-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisoxazole-3-methanamine,7-methyl-
- 1,2-Benzisoxazole-3-methanamine,7-methyl-(9CI)
- (7-methylbenzo[d]isoxazol-3-yl)methanamine
- CID 119092655
- (7-methyl-1,2-benzoxazol-3-yl)methanamine
- 1,2-Benzisoxazole-3-methanamine, 7-methyl-
-
- Inchi： 1S/C9H10N2O/c1-6-3-2-4-7-8(5-10)11-12-9(6)7/h2-4H,5,10H2,1H3
- InChI Key： RBBGRTKVFCGFNI-UHFFFAOYSA-N
- SMILES： O1C2C(C)=CC=CC=2C(CN)=N1
Computed Properties
- Exact Mass: 162.079
- Monoisotopic Mass: 162.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 163
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52
1,2-Benzisoxazole-3-methanamine,7-methyl-(9CI) Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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