Methyl (S)-2-(1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
- Product NameMethyl (S)-2-(1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
- CAS2709672-58-0
- CBNumberCB210987337
- MFC15H19N3O3
- MW289.34
- MOL File2709672-58-0.mol
Chemical Properties
| Boiling point | 523.1±30.0 °C(Predicted) |
| Density | 1.213±0.06 g/cm3(Predicted) |
| solubility | DMF: 12.5 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 10 mg/ml; Ethanol: 3 mg/ml |
| form | A crystalline solid |
| pka | 11.72±0.46(Predicted) |
| InChI | InChI=1/C15H19N3O3/c1-15(2,3)12(14(20)21-4)16-13(19)11-9-7-5-6-8-10(9)17-18-11/h5-8,12H,1-4H3,(H,16,19)(H,17,18)/t12-/s3 |
| InChIKey | QEXPVGIGOZJEOO-PLAQIDKDNA-N |
| SMILES | C(C1=NNC2=CC=CC=C12)(=O)N[C@@H](C(C)(C)C)C(=O)OC |&1:12,r| |
| FDA UNII | N2R368RE68 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302+H312+H332 | |||||||||
| Precautionary statements | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P321-P330-P362+P364-P501 | |||||||||
| NFPA 704: |
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