Cas no 121356-80-7 (2-Pyrimidinehexanol)
2-Pyrimidinehexanol structure
Product Name:2-Pyrimidinehexanol
CAS No:121356-80-7
MF:C10H16N2O
MW:180.246842384338
CID:104745
PubChem ID:19876773
Update Time:2025-04-18
2-Pyrimidinehexanol Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinehexanol
- 2-Pyrimidinehexanol (9CI)
- 6-pyrimidin-2-ylhexan-1-ol
- DTXSID20600900
- SCHEMBL9741621
- 121356-80-7
- 6-(PYRIMIDIN-2-YL)HEXAN-1-OL
- GLXQBTWGXGPFPK-UHFFFAOYSA-N
-
- Inchi： 1S/C10H16N2O/c13-9-4-2-1-3-6-10-11-7-5-8-12-10/h5,7-8,13H,1-4,6,9H2
- InChI Key： GLXQBTWGXGPFPK-UHFFFAOYSA-N
- SMILES： OCCCCCCC1N=CC=CN=1
Computed Properties
- Exact Mass: 180.12638
- Monoisotopic Mass: 180.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 114
- 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: 1.4
- Topological Polar Surface Area: 46?2
Experimental Properties
- PSA: 46.01
2-Pyrimidinehexanol Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
121356-80-7 (2-Pyrimidinehexanol) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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