ethyl 4-piperazin-1-ylbenzoate (CAS 80518-57-6) — formula C13H18N2O2, molecular weight 234.29; category organic chemicals.
ethyl 4-piperazin-1-ylbenzoate is a carbon-based organic compound with CAS registry number 80518-57-6 and molecular formula C13H18N2O2 (molecular weight 234.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80518-57-6
Its molecular formula C13H18N2O2 comprises 13 C, 18 H, 2 N, 2 O atoms.
Also known as: ethyl 4-piperazin-1-ylbenzoate · 4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER
Category: organic chemicals
The CAS registry number of ethyl 4-piperazin-1-ylbenzoate is 80518-57-6.
Molecular formula C13H18N2O2, molecular weight 234.29.
It is also registered under: ethyl 4-piperazin-1-ylbenzoate, 4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER.
Category: Organic Chemicals.
Public-database records for ethyl 4-piperazin-1-ylbenzoate (CAS 80518-57-6), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (33.3%), H312 (16.7%), H315 (66.7%), H319 (66.7%), H332 (16.7%), H335 (66.7%) |
|---|
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
| CAS Registry Number | 80518-57-6 |
|---|---|
| PubChem CID | 2761178 |
| 分子式 | C13H18N2O2 |
| IUPAC 名称 | ethyl 4-piperazin-1-ylbenzoate |
80518-57-6; ethyl 4-(piperazin-1-yl)benzoate; DTXSID00375604; RefChem:343786; DTXCID60326632; ethyl 4-(1-piperazinyl)benzoate; 4-(Piperazin-1-yl)-benzoic acid ethyl ester; 1-(4-ethoxycarbonylphenyl)piperazine; Ethyl 4-piperazin-1-ylbenzoate; MFCD04973340; Benzoic acid, 4-(1-piperazinyl)-, ethyl ester; Ethyl 4-Piperazinobenzoate; 4-(1-piperazinyl)benzoic acid ethyl ester; 4-piperazin-1-yl-benzoic acid ethyl ester; 4-(1-Piperazinyl)benzoic Acid Ethyl Ester; Ethyl 4-Piperazinobenzoate; N-(4-Ethoxycarbonylphenyl)piperazine; ethyl 4-piperazinylbenzoate
| 分子量 | 234.29 |
|---|---|
| XLogP3 | 1.4 |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 4 |
| 精确质量 | 234.136827821 |
| 单同位素质量 | 234.136827821 |
| 拓扑极性表面积 | 41.6 |
| 重原子数 | 17 |
| 形式电荷 | 0 |
ethyl 4-piperazin-1-ylbenzoate · CAS 80518-57-6 · C13H18N2O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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