N-(tert-butyloxycarbonyl)-L-threonine

HCID 100116CAS 2592-18-9

基本情報

標準SMILES: CC(O)C(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: LLHOYOCAAURYRL-UHFFFAOYSA-N
分子式: C9H17NO5
平均分子量: 219.23 g/mol

名称と識別子

優先名称: N-(tert-butyloxycarbonyl)-L-threonine
IUPAC: 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

名称と別名

N-(tert-Butyloxycarbonyl)-L-threonineEINECS 219-987-6NSC 334305RefChem:362943219-987-62592-18-9Boc-D-Threonine2226362-28-12-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acidN-(tert-Butoxycarbonyl)-D-threonineN-Boc-D-threonineNSC334305

名称をさらに表示

SCHEMBL693616t-butyoxycarbonyl-DL-threonine2-(tert-butoxycarbonylamino)-3-hydroxy-butanoic acidtert-Butoxycarbonyl-L-threonineN-t-butoxycarbonyl-DL-threonineN-(tert-Butoxycarbonyl)threonineDTXSID40948836L-N-(tert-Butoxycarbonyl)threonine

データベース識別子

CAS: 2592-18-9
PubChem CID: 100116
DTXSID: DTXSID40948836
EC Number: 219-987-6

物性

構造計算による物性

XLogP: 0.3
極性表面積: 95.9 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 5
重原子数: 15
形式電荷: 0
複雑度: 245

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 57.1% (4 of 7) of all reports.

Warning

H315 (42.9%): 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)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.