(S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate

HCID 104541CAS 42406-77-9

基本情報

標準SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1
InChIKey: BVCTWRNVKLXEQC-HNNXBMFYSA-N
分子式: C16H17NO3
平均分子量: 271.31 g/mol

名称と識別子

優先名称: (S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate
IUPAC: benzyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

名称と別名

H-TYR-OBZL42406-77-9l-Tyrosine benzyl ester(S)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoateMFCD00191034Tyrosine benzyl esterbenzyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid benzyl esterBenzyl tyrosinateSCHEMBL121369l-Tyrosine, phenylmethyl esterAKOS010531379

名称をさらに表示

DS-3731SY116313CS-0156262G68424Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate #F226889

データベース識別子

CAS: 42406-77-9
PubChem CID: 104541
EC Number: 803-835-6
Nikkaji: J291.242B

物性

構造計算による物性

XLogP: 1.9
極性表面積: 72.6 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: 6
重原子数: 20
形式電荷: 0
複雑度: 294

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, 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.