Cas no 130403-18-8 (3-Isoxazolecarboxamide,N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-)
130403-18-8 structure
Product Name:3-Isoxazolecarboxamide,N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-
CAS No:130403-18-8
MF:C13H14N2O3
MW:246.261863231659
CID:140653
PubChem ID:3076191
Update Time:2025-04-19
3-Isoxazolecarboxamide,N-(2,6-dimethylphenyl)-5-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxamide,N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-
- N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
- D3017
- D-3017
- BRN 5853002
- 527HOM1DFY
- N-(2,6-Dimethylphenyl)-5-(hydroxymethyl)-3-isoxazolecarboxamide
- UNII-527HOM1DFY
- 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-
- DTXSID90156525
- SCHEMBL9133800
- D 3017
- 130403-18-8
-
- Inchi： 1S/C13H14N2O3/c1-8-4-3-5-9(2)12(8)14-13(17)11-6-10(7-16)18-15-11/h3-6,16H,7H2,1-2H3,(H,14,17)
- InChI Key： INTCSWFXEXGUFR-UHFFFAOYSA-N
- SMILES： O1C(CO)=CC(C(NC2C(C)=CC=CC=2C)=O)=N1
Computed Properties
- Exact Mass: 246.10052
- Monoisotopic Mass: 246.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 288
- 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: 75.4?2
Experimental Properties
- Density: 1.291
- Boiling Point: 365.4°C at 760 mmHg
- Flash Point: 174.8°C
- Refractive Index: 1.623
- PSA: 75.36
3-Isoxazolecarboxamide,N-(2,6-dimethylphenyl)-5-(hydroxymethyl)- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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