2-Thienylalanine

HCID 91444

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

部分構造検索類似構造を探す

基本情報

CAS: 139-86-6
標準SMILES: NC(Cc1cccs1)C(=O)O
InChIKey: WTOFYLAWDLQMBZ-UHFFFAOYSA-N
分子式: C7H9NO2S
平均分子量: 171.22 g/mol
単同位体質量: 171.0353997

名称と識別子

優先名称: 2-Thienylalanine
IUPAC: 2-amino-3-thiophen-2-ylpropanoic acid

名称と別名

2021-58-12-Thiophenealanine2-ThienylalanineNSC 7546ZK0RDK1XBbeta-2-Thienyl-DL-alanineX 151EINECS 205-378-2alpha-Amino-2-thiophenepropanoic acidNSC-754EINECS 217-967-12-Thiophenepropionic acid, alpha-amino-

名称をさらに表示

DTXSID10862813DL-3-(2-THIENYL)ALANINE.BETA.-2-THIENYL-DL-ALANINEbeta2dlThienylalanine3(2Thienyl)DLalanineRefChem:483738DTXCID20218509alpha-aminothiophene propanoic acid

データベース識別子

CAS: 139-86-6、2021-58-1
PubChem CID: 91444
DTXSID: DTXSID10862813
ChEBI: CHEBI:233112
UNII: 6ZK0RDK1XB
EC Number: 217-967-1
Nikkaji: J59.668J

物性

構造計算による物性補完中

XLogP: -1.7
極性表面積: 91.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 151

実験および物理化学的性質

Physical DescriptionFaintly beige powder; [Sigma-Aldrich MSDS]

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.