3-(boc-amino)benzoic acid (CAS 111331-82-9) — formula C12H15NO4, molecular weight 237.25; category organic chemicals.
| CAS Number | 111331-82-9 |
|---|---|
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.25 |
| LogP | 2.7 |
| Category | Organic Chemicals |
3-(boc-amino)benzoic acid is a carbon-based organic compound with CAS registry number 111331-82-9 and molecular formula C12H15NO4 (molecular weight 237.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 111331-82-9
Its molecular formula C12H15NO4 comprises 12 C, 15 H, 1 N, 4 O atoms.
Also known as: 3-(boc-amino)benzoic acid · 3-(boc-氨基)苯甲酸
Category: organic chemicals
The CAS registry number of 3-(boc-amino)benzoic acid is 111331-82-9.
Molecular formula C12H15NO4, molecular weight 237.25.
It is also registered under: 3-(boc-amino)benzoic acid, 3-(boc-氨基)苯甲酸.
Category: Organic Chemicals.
Independent reference data for 3-(boc-amino)benzoic acid (CAS 111331-82-9), compiled from public chemistry databases.
| CAS Registry Number | 111331-82-9 |
|---|---|
| PubChem CID | 854162 |
| Molecular formula | C12H15NO4 |
| IUPAC name | 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid |
| UNII (FDA) | HMS1736M04 |
| Molecular Weight | 237.25 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 237.10010796 |
| Monoisotopic Mass | 237.10010796 |
| Topological Polar Surface Area | 75.6 |
| Heavy Atom Count | 17 |
3-{[(tert-butoxy)carbonyl]amino}benzoic acid; 3-(((Tert-butoxy)carbonyl)amino)benzoic acid; RefChem:488054; 696-169-9; 111331-82-9; BOC-3-AMINOBENZOIC ACID; 3-(Boc-amino)benzoic acid; Boc-3-Abz-OH; 3-((tert-butoxycarbonyl)amino)benzoic acid; 3-(BOC-AMINO)-BENZOIC ACID; MFCD00235884; Boc-3-aminobenzoicacid; 3-[(tert-butoxycarbonyl)amino]benzoic acid; Boc-(3)Abz-OH; 3-(tert-butoxycarbonylamino)benzoic acid; 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic Acid
| Reported hazard statements | H302 (100%), H312 (50%), H315 (50%), H319 (50%), H332 (50%), H335 (50%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
3-(boc-amino)benzoic acid · CAS 111331-82-9 · C12H15NO4. UNII HMS1736M04.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(boc-氨基)苯甲酸