Cas no 693211-25-5 (Bicyclo[3.1.1]heptan-2-ol, 2-(aminomethyl)-1-methyl- (9CI))
693211-25-5 structure
Product Name:Bicyclo[3.1.1]heptan-2-ol, 2-(aminomethyl)-1-methyl- (9CI)
CAS No:693211-25-5
MF:C9H17NO
MW:155.237382650375
CID:1023354
Update Time:2024-03-05
Bicyclo[3.1.1]heptan-2-ol, 2-(aminomethyl)-1-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Bicyclo[3.1.1]heptan-2-ol, 2-(aminomethyl)-1-methyl- (9CI)
- Bicyclo[3.1.1]heptan-2-ol, 2-(aminomethyl)-1-methyl-
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- Inchi: 1S/C9H17NO/c1-8-4-7(5-8)2-3-9(8,11)6-10/h7,11H,2-6,10H2,1H3
- InChI Key: YKLPOGDBZMGCSS-UHFFFAOYSA-N
- SMILES: C12(C)CC(C1)CCC2(CN)O
Computed Properties
- Exact Mass: 155.131
- Monoisotopic Mass: 155.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.2A^2
Bicyclo[3.1.1]heptan-2-ol, 2-(aminomethyl)-1-methyl- (9CI) Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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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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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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