Theanine (CAS 3081-61-6) — formula C7H14N2O3, molecular weight 174.10 g/mol; category food additives.
Theanine is a food-grade compound with CAS registry number 3081-61-6 and molecular formula C7H14N2O3 (molecular weight 174.10 g/mol), belonging to the food additives segment of chemical raw materials.
CAS number: 3081-61-6
Its molecular formula C7H14N2O3 comprises 7 C, 14 H, 2 N, 3 O atoms.
Also known as: Theanine · N-gamma-ethyl-L-glutamine
Category: food additives
The CAS registry number of Theanine is 3081-61-6.
Molecular formula C7H14N2O3, molecular weight 174.10 g/mol.
It is also registered under: Theanine, N-gamma-ethyl-L-glutamine.
Category: Nutrition Enhancers.
Public-database records for Theanine (CAS 3081-61-6), reproduced here for independent cross-checking.
| GHS 通报统计 | 0.5% (1 / 206) |
|---|---|
| 已通报的危害声明 | H317 (99.5%) |
| 法规与食品接触 | 多种食品类别中的成分每份最多 250 毫克 Scientific procedures FDA has no questions Taiyo International, Inc. L-theanine (chemically synthesized) As an ingredient in foods |
|---|---|
| GHS 通报统计 | 0.5% (1 / 206) |
| 沸点 | 214-216 °C |
|---|---|
| 熔点 | 174.20 |
| 熔点 | 217 - 218 °C |
| CAS 号 | 3081-61-6 |
|---|---|
| PubChem CID | 439378 |
| 分子式 | C7H14N2O3 |
| 分子量 | 174.10 g/mol |
| IUPAC 名称 | (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid |
| InChIKey | DATAGRPVKZEWHA-YFKPBYRVSA-N |
| UNII（FDA） | 8021PR16QO |
| ChEBI 编号 | CHEBI:58128 |
L-Theanine; 3081-61-6; Theanine; Theanin; Suntheanine; (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid; DTXSID80184817; 8021PR16QO; NSC-21308; NSC21308; delta-glutamylethylamide; (2S)-2-azaniumyl-5-(ethylamino)-5-oxopentanoate; L-Glutamic acid-gamma-ethylamide; RefChem:51690; DTXCID20107308; 221-379-0
| 分子量 | 174.20 |
|---|---|
| XLogP3 | -3.6 |
| 氢键供体数 | 3 |
| 氢键受体数 | 4 |
| 可旋转键数 | 5 |
| 精确质量 | 174.10044231 |
| 单同位素质量 | 174.10044231 |
| 拓扑极性表面积 | 92.4 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
N-gamma-ethyl-L-glutamine 的 CAS 号为 3081-61-6，分子式 C7H14N2O3，分子量 174.10 g/mol。 UNII 8021PR16QO; ChEBI 58128; InChIKey DATAGRPVKZEWHA-YFKPBYRVSA-N. 沸点: 214-216 °C; 熔点: 174.20; 熔点: 217 - 218 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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