3-Aminopyrazole-4-carbonitrile (CAS 16617-46-2) — formula C4H4N4, molecular weight 108.10; category organic chemicals.
3-Aminopyrazole-4-carbonitrile is a carbon-based organic compound with CAS registry number 16617-46-2 and molecular formula C4H4N4 (molecular weight 108.10), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 16617-46-2
Its molecular formula C4H4N4 comprises 4 C, 4 H, 4 N atoms.
Also known as: 3-Aminopyrazole-4-carbonitrile · 3-Amino-4-pyrazolecarbonitrile
Category: organic chemicals
The CAS registry number of 3-Aminopyrazole-4-carbonitrile is 16617-46-2.
Molecular formula C4H4N4, molecular weight 108.10.
It is also registered under: 3-Aminopyrazole-4-carbonitrile, 3-Amino-4-pyrazolecarbonitrile.
Category: Organic Chemicals.
Public-database records for 3-Aminopyrazole-4-carbonitrile (CAS 16617-46-2), reproduced here for independent cross-checking.
| Reported hazard statements | H301, H311, H331 (15.4%), H302 (61.5%), H312 (23.1%), H315 (92.3%), H319 (92.3%), H332 (15.4%) |
|---|
H301+H311+H331 (15.4%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
H302 (61.5%): Harmful if swallowed [Warning Acute toxicity, oral]
| CAS Registry Number | 16617-46-2 |
|---|---|
| PubChem CID | 85515 |
| 分子式 | C4H4N4 |
| IUPAC 名称 | 5-amino-1H-pyrazole-4-carbonitrile |
| UNII（FDA） | OOB953S9X2 |
5-Amino-4-cyanopyrazole; RefChem:92998; 16617-46-2; 5-amino-1H-pyrazole-4-carbonitrile; 3-Amino-4-pyrazolecarbonitrile; 3-Amino-1H-pyrazole-4-carbonitrile; 3-Amino-4-cyanopyrazole; 1204396-41-7; 3-Aminopyrazole-4-carbonitrile; 1H-Pyrazole-4-carbonitrile, 3-amino-; 5-Aminopyrazole-4-carbonitrile; MFCD00005237; 3-amino-4-cyano-1h-pyrazole; 4-cyano-5-aminopyrazole; Pyrazole-4-carbonitrile, 3-amino-; Allopurinol Nitrile Impurity
| 分子量 | 108.10 |
|---|---|
| XLogP3 | 0.1 |
| 氢键供体数 | 2 |
| 氢键受体数 | 3 |
| 可旋转键数 | 0 |
| 精确质量 | 108.043596145 |
| 单同位素质量 | 108.043596145 |
| 拓扑极性表面积 | 78.5 |
| 重原子数 | 8 |
| 形式电荷 | 0 |
3-Aminopyrazole-4-carbonitrile · CAS 16617-46-2 · C4H4N4. UNII OOB953S9X2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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