Methyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate (CAS 57113-90-3) — formula C13H16N2O6, molecular weight 296.28; category organic chemicals.
| CAS Number | 57113-90-3 |
|---|---|
| Molecular Formula | C13H16N2O6 |
| Molecular Weight | 296.28 |
| LogP | 2.7 |
| Category | Organic Chemicals |
Methyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate is a carbon-based organic compound with CAS registry number 57113-90-3 and molecular formula C13H16N2O6 (molecular weight 296.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 57113-90-3
Its molecular formula C13H16N2O6 comprises 13 C, 16 H, 2 N, 6 O atoms.
Also known as: Methyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate · 2-[(叔丁氧基羰基)氨基]-3-硝基苯甲酸甲酯
Category: organic chemicals
The CAS registry number of Methyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate is 57113-90-3.
Molecular formula C13H16N2O6, molecular weight 296.28.
It is also registered under: Methyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate, 2-[(叔丁氧基羰基)氨基]-3-硝基苯甲酸甲酯.
Category: Organic Chemicals.
Independent reference data for Methyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate (CAS 57113-90-3), compiled from public chemistry databases.
| CAS Registry Number | 57113-90-3 |
|---|---|
| PubChem CID | 9965968 |
| Molecular formula | C13H16N2O6 |
| IUPAC name | methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate |
| UNII (FDA) | 3M5L5PPB4D |
| Molecular Weight | 296.28 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 296.10083623 |
| Monoisotopic Mass | 296.10083623 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 21 |
Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate; Methyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate; Methyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitrobenzoate; Methyl 2-(((1,1-dimethylethoxy)carbonyl)amino)-3-nitrobenzoate; RefChem:813115; 611-470-7; 57113-90-3; Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoate; MFCD06797690; BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER; Methyl 2-(Boc-amino)-3-nitrobenzoate; methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate; Methyl 2-((tert-butoxycarbonyl)-amino)-3-nitrobenzoate; AC-11269; 2-(Boc-amino)-3-nitrobenzoic Acid Methyl Ester; Methyl 2-tert-butoxycarbonylamino-3-nitrobenzoate
| GHS notification summary | 100% (4 / 4) |
|---|
| GHS notification summary | 100% (4 / 4) |
|---|
This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.
Reported as not meeting GHS hazard criteria by 4 of 4 companies. For more detailed information, please visit ECHA C&L website.
Methyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate · CAS 57113-90-3 · C13H16N2O6. UNII 3M5L5PPB4D.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[(叔丁氧基羰基)氨基]-3-硝基苯甲酸甲酯