Cas no 99993-62-1 (1-(3-Methylcyclohexyl)piperazine)
99993-62-1 structure
Product Name:1-(3-Methylcyclohexyl)piperazine
CAS No:99993-62-1
MF:C11H22N2
MW:182.305782794952
CID:797482
PubChem ID:4987443
Update Time:2025-04-19
1-(3-Methylcyclohexyl)piperazine Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-Methylcyclohexyl)piperazine
- Piperazine, 1-(3-methylcyclohexyl)- (6CI)
- Piperazine,1-(3-methylcyclohexyl)-
- DTXSID40407276
- SCHEMBL22510308
- 99993-62-1
- AKOS010082042
-
- MDL： MFCD03419489
- Inchi： 1S/C11H22N2/c1-10-3-2-4-11(9-10)13-7-5-12-6-8-13/h10-12H,2-9H2,1H3
- InChI Key： WZVDAEOTVAOPNR-UHFFFAOYSA-N
- SMILES： N1(CCNCC1)C1CCCC(C)C1
Computed Properties
- Exact Mass: 182.178298710g/mol
- Monoisotopic Mass: 182.178298710g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 152
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 15.3?2
Experimental Properties
- Density: 0.941
- Boiling Point: 256.3°C at 760 mmHg
- Flash Point: 93°C
- Refractive Index: 1.487
1-(3-Methylcyclohexyl)piperazine Related Literature
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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