Cas no 1251409-05-8 (N'-hydroxy-3-methylcyclohexane-1-carboximidamide)
1251409-05-8 structure
Product Name:N'-hydroxy-3-methylcyclohexane-1-carboximidamide
CAS No:1251409-05-8
MF:C8H16N2O
MW:156.225441932678
CID:5704781
PubChem ID:61869123
Update Time:2023-10-17
N'-hydroxy-3-methylcyclohexane-1-carboximidamide Chemical and Physical Properties
Names and Identifiers
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- EN300-1291184
- 1251409-05-8
- N'-hydroxy-3-methylcyclohexane-1-carboximidamide
- N-hydroxy-3-methylcyclohexane-1-carboximidamide
- Cyclohexanecarboximidamide, N-hydroxy-3-methyl-
-
- Inchi： 1S/C8H16N2O/c1-6-3-2-4-7(5-6)8(9)10-11/h6-7,11H,2-5H2,1H3,(H2,9,10)
- InChI Key： HGBVZSCQLWRSJX-UHFFFAOYSA-N
- SMILES： O/N=C(/C1CCCC(C)C1)\N
Computed Properties
- Exact Mass: 156.126263138g/mol
- Monoisotopic Mass: 156.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 156
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 58.6?2
Experimental Properties
- Density: 1.19±0.1 g/cm3(Predicted)
- Boiling Point: 246.2±23.0 °C(Predicted)
- pka: 7.35±0.69(Predicted)
N'-hydroxy-3-methylcyclohexane-1-carboximidamide Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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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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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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