CAS 75176-22-6 (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid (HCID 12849452)

基本情報

CAS: 75176-22-6
標準SMILES: CO[C@@H]1CN[C@H](C(=O)O)C1
InChIKey: RNXKXUOGQKYKTH-WHFBIAKZSA-N
分子式: C6H11NO3
平均分子量: 145.16 g/mol
単同位体質量: 145.07389321

名称と識別子

優先名称: (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid
IUPAC: (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid

名称と別名

(2S,4S)-4-methoxypyrrolidine-2-carboxylic acid75176-22-6RefChem:399013817-968-2cis-4-methoxy-L-prolineSCHEMBL1269918RNXKXUOGQKYKTH-WHFBIAKZSA-N(4S)-4-METHOXY-L-PROLINEAKOS006353411AT43884(2S,4S)-4-methoxypyrrolidine-2-carboxylicacidEN300-657362

名称をさらに表示

Z1203733743

データベース識別子

CAS: 75176-22-6
PubChem CID: 12849452
EC Number: 817-968-2

物性

構造計算による物性

XLogP: -2.8
極性表面積: 58.6 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: 2
重原子数: 10
形式電荷: 0
複雑度: 137

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.