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Name
N-TERT-BUTYL-3-(2-HYDROXYPROPAN-2-YL)-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE
- EINECS
- CAS No. 889062-06-0
- Density 1.28 g/cm3
- Solubility
- Melting Point
- Formula C10H18N4O3
- Boiling Point
- Molecular Weight 242.27
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms N-tert-Butyl-3-(2-hydroxypropan-2-yl)-5-oxo-2,5-dihydro-1H-1,2,4-triazole-1-carboxamide;
- PSA 100.01000
- LogP 0.54590
N-tert-Butyl-3-(2-hydroxypropan-2-yl)-5-oxo-2,5-dihydro-1H-1,2,4-triazole-1-carboxamide Specification
The cas register number of N-tert-Butyl-3-(2-hydroxypropan-2-yl)-5-oxo-2,5-dihydro-1H-1,2,4-triazole-1-carboxamide is 889062-06-0. It also can be called as 1H-1,2,4-Triazole-1-carboxamide,N-(1,1-dimethylethyl)-2,5-dihydro-3-(1-hydroxy-1-methylethyl)-5-oxo- and the Systematic name about this chemical is N-tert-butyl-3-(1-hydroxy-1-methyl-ethyl)-5-oxo-4H-1,2,4-triazole-1-carboxamide.
Physical properties about N-tert-Butyl-3-(2-hydroxypropan-2-yl)-5-oxo-2,5-dihydro-1H-1,2,4-triazole-1-carboxamide are: (1)#H bond acceptors: 7; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 94.03Å2; (5)Index of Refraction: 1.571; (6)Molar Refractivity: 61.89 cm3; (7)Molar Volume: 188.2 cm3; (8)Polarizability: 24.53x10-24cm3; (9)Surface Tension: 45.2 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)NC(=O)n1c(=O)[nH]c(n1)C(C)(C)O
(2)InChI: InChI=1/C10H18N4O3/c1-9(2,3)12-8(16)14-7(15)11-6(13-14)10(4,5)17/h17H,1-5H3,(H,12,16)(H,11,13,15)
(3)InChIKey: RLWLJHDVGCZVBM-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H18N4O3/c1-9(2,3)12-8(16)14-7(15)11-6(13-14)10(4,5)17/h17H,1-5H3,(H,12,16)(H,11,13,15)
(5)Std. InChIKey: RLWLJHDVGCZVBM-UHFFFAOYSA-N
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