Cas no 4811-03-4 (4-Pyridinemethanol,3-hydroxy-2,5-dimethyl-)
4811-03-4 structure
Product Name:4-Pyridinemethanol,3-hydroxy-2,5-dimethyl-
4-Pyridinemethanol,3-hydroxy-2,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinemethanol,3-hydroxy-2,5-dimethyl-
- 2,5-Dimethyl-3-hydroxy-4-pyridinemethanol; 4-Pyridinemethanol, 3-hydroxy-2,5-dimethyl-
- 3-HYDROXY-2,5-DIMETHYL-4-PYRIDINEMETHANOL
- 5'-Deoxypyridoxine
- 2,5-Dimethyl-3-hydroxy-4-pyridinemethanol
- F6G8SL2MJT
- DTXSID70964004
- 5-Deoxypyridoxol
- 4-(hydroxymethyl)-2,5-dimethylpyridin-3-ol
- SCHEMBL10943402
- 4811-03-4
- 3-Deoxypyridoxol
- 5-Deoxypyridoxine
- 4-(Hydroxymethyl)-2,5-dimethyl-3-pyridinol #
- UNII-F6G8SL2MJT
- 4-Pyridinemethanol, 3-hydroxy-2,5-dimethyl-
-
- Inchi： 1S/C8H11NO2/c1-5-3-9-6(2)8(11)7(5)4-10/h3,10-11H,4H2,1-2H3
- InChI Key： ROLBJTGZEPVEEG-UHFFFAOYSA-N
- SMILES： OC1C(C)=NC=C(C)C=1CO
Computed Properties
- Exact Mass: 153.07903
- Monoisotopic Mass: 153.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 129
- 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: 0.5
- Topological Polar Surface Area: 53.4A^2
Experimental Properties
- Density: 1.201
- Boiling Point: 400°Cat760mmHg
- Flash Point: 195.7°C
- Refractive Index: 1.578
- PSA: 53.35
4-Pyridinemethanol,3-hydroxy-2,5-dimethyl- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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