2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid

HCID 12136629CAS 165607-76-1

基本情報

標準SMILES: CCCN(CC(=O)O)C(=O)OC(C)(C)C
InChIKey: RYAKVKATDZQYAM-UHFFFAOYSA-N
分子式: C10H19NO4
平均分子量: 217.26 g/mol
単同位体質量: 217.13140809

名称と識別子

優先名称: 2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]acetic acid
英語名: N-Propyl-N-Boc-glycine
分子式: C10H19NO4
分子量: 217.26

名称と別名

2-{[(tert-Butoxy)carbonyl](propyl)amino}acetic acid2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid2-([(tert-Butoxy)carbonyl](propyl)amino)acetic acidRefChem:447013854-462-0165607-76-1N-PROPYL-N-BOC-GLYCINE2-[N-(t-butoxycarbonyl)-N-propylamino]acetic acid2-((tert-Butoxycarbonyl)(propyl)amino)acetic acidGlycine, N-[(1,1-dimethylethoxy)carbonyl]-N-propyl-2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]acetic acidMFCD09909474

名称をさらに表示

N-(tert-butoxycarbonyl)-N-propylglycine(tert-Butoxycarbonyl-propyl-amino)-acetic acidBoc-nPrGly-OHN-Boc-N-propyl-glycineSCHEMBL16776372-[Boc(propyl)amino]acetic AcidDTXSID80478283RYAKVKATDZQYAM-UHFFFAOYSA-N

データベース識別子

CAS: 165607-76-1
PubChem CID: 12136629
DTXSID: DTXSID80478283
EC Number: 854-462-0

物性

構造計算による物性

XLogP: 1.6
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: 6
重原子数: 15
形式電荷: 0
複雑度: 232

物理化学的性質

沸点: 318.4 · 318.4±21.0 °C(Predicted)
比重(密度): 1.091 · 1.091±0.06 g/cm3(Predicted)
酸解離定数(Pka): 4.03 · 4.03±0.10(Predicted)

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.