4-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]BENZOICACID (CAS 81261-97-4) — formula C13H13N3O2, molecular weight 243.26; category organic chemicals.
| CAS Number | 81261-97-4 |
|---|---|
| Molecular Formula | C13H13N3O2 |
| Molecular Weight | 243.26 |
| LogP | 2.4 |
| Category | Organic Chemicals |
4-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]BENZOICACID is a carbon-based organic compound with CAS registry number 81261-97-4 and molecular formula C13H13N3O2 (molecular weight 243.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81261-97-4
Its molecular formula C13H13N3O2 comprises 13 C, 13 H, 3 N, 2 O atoms.
Also known as: 4-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]BENZOICACID · (4,6-二甲基嘧啶-2-基)-4-氨苯甲酸
Category: organic chemicals
The CAS registry number of 4-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]BENZOICACID is 81261-97-4.
Molecular formula C13H13N3O2, molecular weight 243.26.
It is also registered under: 4-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]BENZOICACID, (4,6-二甲基嘧啶-2-基)-4-氨苯甲酸.
Category: Organic Chemicals.
Independent reference data for 4-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]BENZOICACID (CAS 81261-97-4), compiled from public chemistry databases.
| CAS 号 | 81261-97-4 |
|---|---|
| PubChem CID | 734454 |
| 分子式 | C13H13N3O2 |
| IUPAC 名称 | 4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid |
| UNII（FDA） | ST50286675 |
| 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 |
81261-97-4; 4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid; 4-((4,6-dimethylpyrimidin-2-yl)amino)benzoic acid; DTXSID40352712; RefChem:286379; DTXCID70303777; 674-452-8; Benzoic acid,4-[(4,6-dimethyl-2-pyrimidinyl)amino]-; MFCD00203264; BAS 09524989; HMS519E19; Peakdale1_000459; SCHEMBL2420716; CHEMBL1616407; YVQYEHFOENIYSU-UHFFFAOYSA-N; BBL011827
| 已通报的危害声明 | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
(4,6-二甲基嘧啶-2-基)-4-氨苯甲酸 · CAS 81261-97-4 · C13H13N3O2. UNII ST50286675.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (4,6-二甲基嘧啶-2-基)-4-氨苯甲酸