基本情報
- CAS
3417-91-2- 標準SMILES
COC(=O)[C@@H](N)Cc1ccc(O)cc1.Cl- InChIKey
VXYFARNRGZWHTJ-FVGYRXGTSA-N- 分子式
- C10H14ClNO3
- 平均分子量
- 231.67 g/mol
- 単同位体質量
- 231.066221
名称と識別子
- 優先名称
- Methyl tyrosinate hydrochloride
- IUPAC
- methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride
- 現地名
- L-チロシンメチル塩酸塩
- 英語名
- Methyl L-tyrosinate hydrochloride
- 分子式
- C10H14ClNO3
- 分子量
- 231.68
名称と別名
名称をさらに表示
データベース識別子
- CAS
3417-91-2- PubChem CID
- 76956
- DTXSID
DTXSID20883973- ChEMBL
CHEMBL1221906- UNII
- W42M0MI271
- EC Number
- 222-313-3
物性
構造計算による物性
- 極性表面積
- 72.6 Ų
- 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
- 4
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 188
物理化学的性質
- 融点
- 192 °C · 192 °C (dec.)(lit.)
- 比旋光度
- 74 · 74 º (c=3,1N pyridine)
- 屈折率
- 13 ° · 13 ° (C=2, MeOH)
- 貯蔵温度
- 2 · 2-8°C
- 水溶解度
- very faint turbidity in Water
- 溶解性
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 外見
- powder to crystal
- 色
- White to Almost white
- BRN
- 3917353 · 3917353
- 主な用途
- ペプチド合成
- 化粧品成分の機能
- ヘアコンディショニング
- InChI
- InChI=1/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/s3
- InChIKey
- VXYFARNRGZWHTJ-OVMXBOEKNA-N
- SMILES
- C1(C=CC(O)=CC=1)C[C@H](N)C(=O)OC.Cl |&1:8,r|
- CAS データベース
- 3417 · 3417-91-2(CAS DataBase Reference)
- EPAの化学物質情報
- L-Tyrosine, methyl ester, hydrochloride (3417-91-2)
化学的性質
化学的特性Crystalline
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 3.6% (3 of 83) of reports.
Warning
H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (96.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 83 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 83 reports by companies.;There are 5 notifications provided by 80 of 83 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: L-Tyrosine, methyl ester, hydrochloride;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 05-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27402
Methyl L-tyrosinate hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
法規制情報
Regulatory Information
Chemical: L-Tyrosine, methyl ester, hydrochloride;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 05-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27402
Methyl L-tyrosinate hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29225000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
応用分野
用途有機合成原料。
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
補足説明
定義本品は、アミノ酸誘導体の塩酸塩であり、次の化学式で表される。
関連反応
化合物ノート
読み込み中…