Cas no 54961-33-0 (Cyclohexanecarboxylic acid, 1-[(2-hydroxyethyl)amino]-)
![Cyclohexanecarboxylic acid, 1-[(2-hydroxyethyl)amino]- structure](https://ossimg.kuujia.com/scimg/55000/54961-33-0x500.png)
54961-33-0 structure
Product Name:Cyclohexanecarboxylic acid, 1-[(2-hydroxyethyl)amino]-
CAS No:54961-33-0
MF:C9H17NO3
MW:187.236182928085
CID:353210
PubChem ID:20325237
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 1-[(2-hydroxyethyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 1-[(2-hydroxyethyl)amino]-
- 1-(2-hydroxyethylamino)cyclohexane-1-carboxylic acid
- DTXSID70605349
- 54961-33-0
- 1-[(2-Hydroxyethyl)amino]cyclohexane-1-carboxylic acid
- SCHEMBL11512482
-
- Inchi： 1S/C9H17NO3/c11-7-6-10-9(8(12)13)4-2-1-3-5-9/h10-11H,1-7H2,(H,12,13)
- InChI Key： HRECPFJZHWQDPL-UHFFFAOYSA-N
- SMILES： OC(C1(CCCCC1)NCCO)=O
Computed Properties
- Exact Mass: 187.12091
- Monoisotopic Mass: 187.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 176
- 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
- XLogP3: -2
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- PSA: 69.56
Cyclohexanecarboxylic acid, 1-[(2-hydroxyethyl)amino]- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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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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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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