5-methylcytosine (CAS 554-01-8) — formula C5H7N3O, molecular weight 125.13; category organic chemicals.
5-methylcytosine is a carbon-based organic compound with CAS registry number 554-01-8 and molecular formula C5H7N3O (molecular weight 125.13), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 554-01-8
Its molecular formula C5H7N3O comprises 5 C, 7 H, 3 N, 1 O atoms.
Also known as: 5-methylcytosine
Category: organic chemicals
The CAS registry number of 5-methylcytosine is 554-01-8.
Molecular formula C5H7N3O, molecular weight 125.13.
It is also registered under: 5-methylcytosine.
Category: Organic Chemicals.
Public-database records for 5-methylcytosine (CAS 554-01-8), reproduced here for independent cross-checking.
| Reported hazard statements | H317 (95.1%), H319 (100%) |
|---|
H317 (95.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| 熔点 | 270 °C |
|---|---|
| 溶解度 | 34.5 mg/mL |
| Collision Cross Section | 135.7 Ų [M+Na]+ |
| Collision Cross Section | 125.7 Ų [M+H]+ |
| Collision Cross Section | 121.1 Ų [M+H]+ |
| CAS Registry Number | 554-01-8 |
|---|---|
| PubChem CID | 65040 |
| 分子式 | C5H7N3O |
| IUPAC 名称 | 6-amino-5-methyl-1H-pyrimidin-2-one |
| UNII(FDA) | 6R795CQT4H |
5-Methylcytosine; 554-01-8; 2(1H)-Pyrimidinone, 4-amino-5-methyl-; 6-amino-5-methyl-1H-pyrimidin-2-one; 6R795CQT4H; DTXSID50203948; NSC-137776; CHEBI:27551; 5 Methylcytosine; 6-amino-5-methyl-1,2-dihydropyrimidin-2-one; 5 Methylcytosine Monohydrochloride; Monohydrochloride, 5-Methylcytosine; RefChem:103183; DTXCID80126439; 209-058-3; 4-amino-5-methylpyrimidin-2(1H)-one
| 分子量 | 125.13 |
|---|---|
| XLogP3 | -0.8 |
| 氢键供体数 | 2 |
| 氢键受体数 | 2 |
| 可旋转键数 | 0 |
| 精确质量 | 125.058911855 |
| 单同位素质量 | 125.058911855 |
| 拓扑极性表面积 | 67.5 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
5-methylcytosine · CAS 554-01-8 · C5H7N3O. UNII 6R795CQT4H. 熔点: 270 °C; 溶解度: 34.5 mg/mL; Collision Cross Section: 135.7 Ų [M+Na]+.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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