基本情報
- CAS
1202-66-0- 標準SMILES
CC(=O)NCCc1ccc(O)cc1- InChIKey
ATDWJOOPFDQZNK-UHFFFAOYSA-N- 分子式
- C10H13NO2
- 平均分子量
- 179.22 g/mol
- 単同位体質量
- 179.09462866
概要
N-acetyltyramine is a member of the class of tyramines that is tyramine in which one of the hydrogens of the amino group is replaced by an acetyl group. It has a role as a quorum sensing inhibitor, an animal metabolite, a marine metabolite, an Aspergillus metabolite and a bacterial metabolite. It is a member of acetamides and a member of tyramines. It is functionally related to a tyramine.
名称と識別子
- 優先名称
- N-Acetyltyramine
- IUPAC
- N-[2-(4-hydroxyphenyl)ethyl]acetamide
- 現地名
- N-[2-(4-ヒドロキシフェニル)エチル]アセトアミド
- 英語名
- N-Acetyltyramine
- 分子式
- C10H13NO2
- 分子量
- 179.22
名称と別名
N-Acetyltyramine1202-66-0N-(4-Hydroxyphenethyl)acetamideN-[2-(4-Hydroxyphenyl)ethyl]acetamideN-Acetyl tyramineN-(p-Hydroxyphenethyl)acetamideN-(2-(4-Hydroxyphenyl)ethyl)acetamideBZB50E9QVYAcetamide, N-(2-(4-hydroxyphenyl)ethyl)-Acetamide, N-[2-(4-hydroxyphenyl)ethyl]-TYRAMINE, N-ACETYLCHEBI:125610
名称をさらに表示
N-アセチルチラミン4-(2-アセチルアミノエチル)フェノールN-(4-ヒドロキシフェネチル)アセトアミドN-アセチル-2-(4-ヒドロキシフェニル)エタンアミンN-[2-(4-ヒドロキシフェニル)エチル]アセトアミドAcetyltyramine, N-4-(2-Acetylaminoethyl)phenolN-(2-(4-HYDROXYPHENYL)ETHYL)-N-Acetyltyramine, 10 mM in DMSON-Acetyl-2-(4-hydroxyphenyl)ethaneamine
DTXSID60152731RefChem:927047DTXCID1075222Acetamide, N-(p-hydroxyphenethyl)Acetamide, N-(2-(4-hydroxyphenyl)ethyl)MFCD01670887GNF-PF-5230CHEMBL152117
データベース識別子
物性
構造計算による物性
- XLogP
- 1.1
- 極性表面積
- 49.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 162
物理化学的性質
- 融点
- 169 °C · 169 °C
- 沸点
- 424.1 · 424.1±28.0 °C(Predicted)
- 比重(密度)
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 溶解性
- Soluble in DMSO
- 酸解離定数(Pka)
- 10.01 · 10.01±0.15(Predicted)
- 外見
- A solid
- 色
- Light brown to brown
- 主な用途
- メタボロミクスビタミン、栄養補助食品、天然製品
- InChI
- 1S/C10H13NO2/c1-8(12)11-7-6-9-2-4-10(13)5-3-9/h2-5,13H,6-7H2,1H3,(H,11,12)
- InChIKey
- ATDWJOOPFDQZNK-UHFFFAOYSA-N
- SMILES
- N(CCc1ccc(cc1)O)C(=O)C
- NISTの化学物質情報
- N-(p-hydroxyphenethyl) acetamide(1202-66-0)
安全と法規制
GHS分類
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesEye Dam. 1 (100%)
安全データ
- wgk
- 3
- 毒性
- mouse,LD50,intravenous,> 500mg/kg (500mg/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)SKIN AND APPENDAGES (SKIN): HAIR: OTHERCARDIAC: CARDIOMYOPATHY INCLUDING INFARCTION,Acta Pharmacologica et Toxicologica. Vol. 38, Pg. 474, 1976.
- hs_code
- 2924297099
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard Classifications
- Eye Dam. 1
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用N-[2-(4-Hydroxyphenyl)ethyl]acetamide maintains anti-tumor properties and is derived from a marine bacterium named Streptoverticillium. Cytotoxin.
上流・下流製品情報
上流原料
サプライヤー50 社
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
関連反応
5 件
化合物ノート
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