CAS 1822453-11-1 1-((Tert-butoxy)carbonyl)-5-phenylpyrrolidine-2-carboxylic acid (HCID 4712505)

基本情報

CAS: 1822453-11-1
標準SMILES: CC(C)(C)OC(=O)N1C(C(=O)O)CCC1c1ccccc1
InChIKey: ADTXMICUZGOWDF-UHFFFAOYSA-N
分子式: C16H21NO4
平均分子量: 291.34 g/mol

名称と識別子

優先名称: 1-((Tert-butoxy)carbonyl)-5-phenylpyrrolidine-2-carboxylic acid
IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidine-2-carboxylic acid

名称と別名

1-[(tert-butoxy)carbonyl]-5-phenylpyrrolidine-2-carboxylic acid1822453-11-11-((Tert-butoxy)carbonyl)-5-phenylpyrrolidine-2-carboxylic acidRefChem:419105846-913-5(5R)-1-(tert-butoxycarbonyl)-5-phenyl-D-proline(5S)-1-(tert-butoxycarbonyl)-5-phenyl-L-prolineSCHEMBL475745(2R,5R)-1-[(tert-butoxy)carbonyl]-5-phenylpyrrolidine-2-carboxylic acidFPD901011-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidine-2-carboxylic acidDB-012372

名称をさらに表示

EN300-7186071-tert-butoxycarbonyl-5-phenyl-pyrrolidine-2-carboxylic acid

データベース識別子

CAS: 1822453-11-1
PubChem CID: 4712505
EC Number: 846-913-5

物性

構造計算による物性

XLogP: 2.8
極性表面積: 66.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 21
形式電荷: 0
複雑度: 396

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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)

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