3-(Aminomethyl)-5-methylhexanoic acid (CAS 128013-69-4) — formula C8H17NO2, molecular weight 159.23; category organic chemicals.
3-(Aminomethyl)-5-methylhexanoic acid is a carbon-based organic compound with CAS registry number 128013-69-4 and molecular formula C8H17NO2 (molecular weight 159.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 128013-69-4
Its molecular formula C8H17NO2 comprises 8 C, 17 H, 1 N, 2 O atoms.
Also known as: 3-(Aminomethyl)-5-methylhexanoic acid · 3-(氨甲基)-5-甲基己酸
Category: organic chemicals
The CAS registry number of 3-(Aminomethyl)-5-methylhexanoic acid is 128013-69-4.
Molecular formula C8H17NO2, molecular weight 159.23.
It is also registered under: 3-(Aminomethyl)-5-methylhexanoic acid, 3-(氨甲基)-5-甲基己酸.
Category: Organic Chemicals.
Public-database records for 3-(Aminomethyl)-5-methylhexanoic acid (CAS 128013-69-4), reproduced here for independent cross-checking.
| CAS Registry Number | 128013-69-4 |
|---|---|
| PubChem CID | 4715169 |
| 分子式 | C8H17NO2 |
| IUPAC 名称 | 3-(aminomethyl)-5-methylhexanoic acid |
| UNII（FDA） | HG6X3838RD |
3-(aminomethyl)-5-methylhexanoic acid; 128013-69-4; DTXSID20861392; RefChem:1066974; DTXCID40210005; 876-133-0; 130912-52-6; rac-Pregabalin; Hexanoic acid, 3-(aminomethyl)-5-methyl-; Pregabalin Impurity C; (+/-)-Pregabalin; MFCD00906155; 3-Aminomethyl-5-methyl-hexanoic acid; NCGC00095186-01; Pregabalin, (+/-)-; rac-CI-1008
| 分子量 | 159.23 |
|---|---|
| XLogP3 | -1.6 |
| 氢键供体数 | 2 |
| 氢键受体数 | 3 |
| 可旋转键数 | 5 |
| 精确质量 | 159.125928785 |
| 单同位素质量 | 159.125928785 |
| 拓扑极性表面积 | 63.3 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
3-(Aminomethyl)-5-methylhexanoic acid · CAS 128013-69-4 · C8H17NO2. UNII HG6X3838RD.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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