Isobutyl 3,5-diamino-4-chlorobenzoate (CAS 32961-44-7) — formula C11H15ClN2O2, molecular weight 242.70.
Isobutyl 3,5-diamino-4-chlorobenzoate is a chemical compound with CAS registry number 32961-44-7 and molecular formula C11H15ClN2O2 (molecular weight 242.70).
CAS number: 32961-44-7
Its molecular formula C11H15ClN2O2 comprises 11 C, 15 H, 1 Cl, 2 N, 2 O atoms.
Also known as: Isobutyl 3,5-diamino-4-chlorobenzoate · 3,5-二氨基-4-氯苯甲酸异丁酯 · 4-Chloro-3,5-Diaminobenzoic Acid Isobutyl Ester
The CAS registry number of Isobutyl 3,5-diamino-4-chlorobenzoate is 32961-44-7.
Molecular formula C11H15ClN2O2, molecular weight 242.70.
It is also registered under: Isobutyl 3,5-diamino-4-chlorobenzoate, 3,5-二氨基-4-氯苯甲酸异丁酯, 4-Chloro-3,5-Diaminobenzoic Acid Isobutyl Ester.
Public-database records for Isobutyl 3,5-diamino-4-chlorobenzoate (CAS 32961-44-7), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (52.8%), H315 (52.8%), H319 (52.8%), H335 (52.8%), H412 (47.2%) |
|---|
H302 (52.8%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (52.8%): Causes skin irritation [Warning Skin corrosion/irritation]
| CAS Registry Number | 32961-44-7 |
|---|---|
| PubChem CID | 118368 |
| 分子式 | C11H15ClN2O2 |
| IUPAC 名称 | 2-methylpropyl 3,5-diamino-4-chlorobenzoate |
| UNII（FDA） | NS00021124 |
32961-44-7; Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester; EINECS 251-311-5; DTXSID8067735; RefChem:118380; DTXCID1038616; Isobutyl 3,5-diamino-4-chlorobenzoate; Isobutyl 4-chloro-3,5-diaminobenzoate; 2-methylpropyl 3,5-diamino-4-chlorobenzoate; isobutyl 3,5-diamino-4-chloro benzoate; MFCD00272560; SCHEMBL559800; AKOS003273097; CS-W012761; AS-10933; ISOBUTYL-3,5-DIAMINO-4-CHLOROBENZOATE
| 分子量 | 242.70 |
|---|---|
| XLogP3 | 2.8 |
| 氢键供体数 | 2 |
| 氢键受体数 | 4 |
| 可旋转键数 | 4 |
| 精确质量 | 242.0822054 |
| 单同位素质量 | 242.0822054 |
| 拓扑极性表面积 | 78.3 |
| 重原子数 | 16 |
| 形式电荷 | 0 |
4-Chloro-3,5-Diaminobenzoic Acid Isobutyl Ester · CAS 32961-44-7 · C11H15ClN2O2. UNII NS00021124.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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