CAS 3744-87-4 2-N-Boc-aminopropionic acid (HCID 268471)

基本情報

CAS: 3744-87-4
標準SMILES: CC(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: QVHJQCGUWFKTSE-UHFFFAOYSA-N
分子式: C8H15NO4
平均分子量: 189.21 g/mol

名称と識別子

優先名称: 2-N-Boc-aminopropionic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
現地名: rac-(R*)-2-(tert-ブトキシカルボニルアミノ)プロピオン酸
英語名: Boc-DL-alanine
分子式: C8H15NO4
分子量: 189.21

名称と別名

2-N-Boc-aminopropionic acidRefChem:476330846-704-93744-87-4Boc-DL-Ala-OHBOC-DL-ALANINE2-((tert-Butoxycarbonyl)amino)propanoic acidn-boc-dl-alaninetert-Butoxycarbonyl-DL-alaninedl-n-boc-alanine2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidMFCD00063124

名称をさらに表示

rac-(R*)-2-(tert-ブトキシカルボニルアミノ)プロパン酸rac-(R*)-2-(tert-ブトキシカルボニルアミノ)プロピオン酸N-Boc-DL-アラニンN-(t-ブトキシカルボニル)-DL-アラニンN-(tert-ブトキシカルボニル)-DL-アラニンBOC-DL-アラニンBoc-DL-AlaBoc-DL-alanine99%Boc-DL-Ala-OH98.5+%Boc-DL-alanine ,98%N-Boc-DL-alanine,97%Atazanavir Impurity 52Boc-DL-alanine USP/EP/BP2-N-Boc-aMino-propionic acid

N-(tert-Butoxycarbonyl)alanine2-(tert-butoxycarbonylamino)propanoic acid(tert-Butoxycarbonyl)DL-alanine2-[(tert-butoxycarbonyl)amino]propanoic acidM06166tert.-butoxycarbonylamino-propionic acid2-(tert-butoxycarbonylamino)-propionic acid2-{[(tert-butoxy)carbonyl]amino}propanoic acid

データベース識別子

CAS: 3744-87-4
PubChem CID: 268471
EC Number: 846-704-9
Nikkaji: J1.293.181F

物性

構造計算による物性

XLogP: 0.9
極性表面積: 75.6 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: 4
重原子数: 13
形式電荷: 0
複雑度: 207

物理化学的性質

融点: 109 °C · 109 °C
沸点: 320.9 · 320.9±25.0 °C(Predicted)
比重(密度): 1.126 · 1.126±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 1 % · Soluble in water or 1% acetic acid
外見: Powder
酸解離定数(Pka): 4.02 · 4.02±0.10(Predicted)
色: White to off-white
CAS データベース: 3744 · 3744-87-4(CAS DataBase Reference)

化学的性質

化学的特性White to off-white powder

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

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.