Cas no 131783-91-0 (3-Cyclohexene-1-methanol,2-amino-5-methyl-)
131783-91-0 structure
Product Name:3-Cyclohexene-1-methanol,2-amino-5-methyl-
CAS No:131783-91-0
MF:C8H15NO
MW:141.210802316666
CID:102264
Update Time:2024-01-24
3-Cyclohexene-1-methanol,2-amino-5-methyl- Chemical and Physical Properties
Names and Identifiers
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- 3-Cyclohexene-1-methanol,2-amino-5-methyl-
- 3-Cyclohexene-1-methanol,2-amino-5-methyl-(9CI)
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- Inchi： 1S/C8H15NO/c1-6-2-3-8(9)7(4-6)5-10/h2-3,6-8,10H,4-5,9H2,1H3
- InChI Key： JISCJWNLVAPDKN-UHFFFAOYSA-N
- SMILES： C(C1CC(C)C=CC1N)O
Computed Properties
- Exact Mass: 141.11545
- Monoisotopic Mass: 141.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 133
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.2A^2
Experimental Properties
- PSA: 46.25
3-Cyclohexene-1-methanol,2-amino-5-methyl- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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