3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]BENZOICACID (CAS 81261-77-0) — formula C13H13N3O2, molecular weight 243.26; category organic chemicals.
| CAS Number | 81261-77-0 |
|---|---|
| Molecular Formula | C13H13N3O2 |
| Molecular Weight | 243.26 |
| LogP | 2.4 |
| Category | Organic Chemicals |
3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]BENZOICACID is a carbon-based organic compound with CAS registry number 81261-77-0 and molecular formula C13H13N3O2 (molecular weight 243.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81261-77-0
Its molecular formula C13H13N3O2 comprises 13 C, 13 H, 3 N, 2 O atoms.
Also known as: 3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]BENZOICACID · 3-[(4,6-二甲基嘧啶-2-YL)氨基]苯甲酸
Category: organic chemicals
The CAS registry number of 3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]BENZOICACID is 81261-77-0.
Molecular formula C13H13N3O2, molecular weight 243.26.
It is also registered under: 3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]BENZOICACID, 3-[(4,6-二甲基嘧啶-2-YL)氨基]苯甲酸.
Category: Organic Chemicals.
Independent reference data for 3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]BENZOICACID (CAS 81261-77-0), compiled from public chemistry databases.
| CAS 号 | 81261-77-0 |
|---|---|
| PubChem CID | 734453 |
| 分子式 | C13H13N3O2 |
| IUPAC 名称 | 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid |
| UNII（FDA） | ST50286674 |
| Molecular Weight | 243.26 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 243.100776666 |
| Monoisotopic Mass | 243.100776666 |
| Topological Polar Surface Area | 75.1 |
| Heavy Atom Count | 18 |
3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid; 81261-77-0; 3-((4,6-dimethylpyrimidin-2-yl)amino)benzoic acid; DTXSID80352711; RefChem:272943; DTXCID10303776; 674-449-1; MFCD00203262; BAS 09524988; HMS519E15; 3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]BENZOICACID; Peakdale1_000455; 3-(4,6-Dimethyl-pyrimidin-2-ylamino)-benzoic acid; SCHEMBL2365647; ALBB-030848; BBL011826
| 已通报的危害声明 | H302 (50%), H312 (50%), H315 (100%), H319 (100%), H332 (50%), H335 (100%) |
|---|
3-[(4,6-二甲基嘧啶-2-YL)氨基]苯甲酸 · CAS 81261-77-0 · C13H13N3O2. UNII ST50286674.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.