N-(2-carboxyethyl)-β-alanine (CAS 505-47-5) — formula C6H11NO4, molecular weight 161.16; category organic chemicals.
N-(2-carboxyethyl)-β-alanine is a carbon-based organic compound with CAS registry number 505-47-5 and molecular formula C6H11NO4 (molecular weight 161.16), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 505-47-5
Its molecular formula C6H11NO4 comprises 6 C, 11 H, 1 N, 4 O atoms.
Also known as: N-(2-carboxyethyl)-β-alanine
Category: organic chemicals
The CAS registry number of N-(2-carboxyethyl)-β-alanine is 505-47-5.
Molecular formula C6H11NO4, molecular weight 161.16.
It is also registered under: N-(2-carboxyethyl)-β-alanine.
Category: Organic Chemicals.
Public-database records for N-(2-carboxyethyl)-β-alanine (CAS 505-47-5), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H319 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| CAS Registry Number | 505-47-5 |
|---|---|
| PubChem CID | 10456 |
| 分子式 | C6H11NO4 |
| IUPAC 名称 | 3-(2-carboxyethylamino)propanoic acid |
| UNII（FDA） | FA26ZEZ66L |
505-47-5; N-(2-Carboxyethyl)-beta-alanine; EINECS 208-009-3; DTXSID60198518; NSC 41820; RefChem:161686; DTXCID20121009; 208-009-3; 3,3'-Iminodipropionic acid; 3,3'-Azanediyldipropanoic acid; 3,3-Bis(N,N-dipropanoic acid); 3-(2-carboxyethylamino)propanoic acid; 3-[(2-CARBOXYETHYL)AMINO]PROPANOIC ACID; MFCD01311684; 3-(2-Carboxy-ethylamino)-propionic acid; Calcium Pantothenate EP Impurity F
| 分子量 | 161.16 |
|---|---|
| XLogP3 | -3.5 |
| 氢键供体数 | 3 |
| 氢键受体数 | 5 |
| 可旋转键数 | 6 |
| 精确质量 | 161.06880783 |
| 单同位素质量 | 161.06880783 |
| 拓扑极性表面积 | 86.6 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
N-(2-carboxyethyl)-β-alanine · CAS 505-47-5 · C6H11NO4. UNII FA26ZEZ66L.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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