Tyrosine ethyl ester hydrochloride

HCID 2724939

ノート反応

データを補完しています。通常は 1 分以内に完了します

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基本情報

CAS: 4089-07-0
標準SMILES: CCOC(=O)[C@@H](N)Cc1ccc(O)cc1.Cl
InChIKey: BQULAXAVRFIAHN-PPHPATTJSA-N
分子式: C11H16ClNO3
平均分子量: 245.7 g/mol
単同位体質量: 245.08187105

名称と識別子

優先名称: Tyrosine ethyl ester hydrochloride
IUPAC: ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride

名称と別名

4089-07-0L-Tyrosine ethyl ester hydrochlorideEthyl L-tyrosinate hydrochlorideTYROSINE ETHYL ESTER HYDROCHLORIDEFAP58DAZ1ETyrosine Ethyl Ester HCLEthyl tyrosinate hydrochlorideL-Tyrosine, ethyl ester, hydrochlorideL-TYROSINE ETHYLESTER MONOHYDROCHLORIDEEINECS 223-820-2NSC-17141Tyrosine, ethyl ester, hydrochloride, L-

名称をさらに表示

Tyrosine, L-, ethyl ester, hydrochlorideNSC 17141(s)-tyrosine ethyl ester hydrochlorideL-Tyrosine ethylester monohydrochloride (JAN)(S)-(-)-TYROSINE ETHYL ESTER HYDROCHLORIDEL-TYROSINE ETHYLESTER MONOHYDROCHLORIDE [JAN]L-TYROSINE, ETHYL ESTER, HYDROCHLORIDE (1:1)Tyrosine ethyl ester HCl (9CI)

データベース識別子

CAS: 4089-07-0
PubChem CID: 2724939
DTXSID: DTXSID401351454
ChEMBL: CHEMBL2107700
UNII: FAP58DAZ1E
EC Number: 223-820-2

物性

構造計算による物性補完中

極性表面積: 72.6 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 16
形式電荷: 0
複雑度: 200

実験および物理化学的性質

Food AdditivesUse unspecified -> FDA Substance added to food

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 28.6% (2 of 7) of reports.

Warning

H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.