2-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoic acid

HCID 294907CAS 3262-72-4

基本情報

標準SMILES: CC(C)(C)OC(=O)NC(CO)C(=O)O
InChIKey: FHOAKXBXYSJBGX-UHFFFAOYSA-N
分子式: C8H15NO5
平均分子量: 205.21 g/mol

名称と識別子

優先名称: 2-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoic acid
IUPAC: 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
英語名: Serine, N-[(1,1-dimethylethoxy)carbonyl]- (9CI)
分子式: C8H15NO5
分子量: 205.21

名称と別名

3850-40-62-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoic acid2-[(tert-butoxycarbonyl)amino]-3-hydroxypropanoic acidRefChem:450136827-118-2N-BOC-DL-SERINEBoc-DL-serine(tert-butoxycarbonyl)serineMFCD001908303-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoic acidBoc-DL-Ser-OH

名称をさらに表示

Boc-DL-SerN-BOC-Serine(Tert-Butoxy)Carbonyl DL-Ser-OHN-[(1,1-Dimethylethoxy)carbonyl]serineSerine,N-[(1,1-diMethylethoxy)carbonyl]-

Serine, N-[(1,1-dimethylethoxy)carbonyl]- (9CI)2-[[(tert-Butoxy)carbonyl]amino]-3-hydroxypropanoic acidNSC-164056N-boc-d1-serineNSC164056FFV6Q46BLRN-alpha-t-BOC-D-SERINEN-alpha-t-BOC-L-SERINE

データベース識別子

CAS: 3262-72-4、3850-40-6
PubChem CID: 294907
UNII: FFV6Q46BLR
EC Number: 827-118-2
Nikkaji: J2.090.782G

物性

構造計算による物性

XLogP: -0.1
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: 14
形式電荷: 0
複雑度: 220

物理化学的性質

沸点: 385.1 · 385.1±37.0 °C(Predicted)
比重(密度): 1.24 · 1.240±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 3.62 · 3.62±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.