2-[(TERT-ブチルトキシカルボニル)アミノ]ブタン酸

2-(((Tert-butoxy)carbonyl)amino)butanoic acid

HCID 333522CAS 34306-42-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CCC(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: PNFVIPIQXAIUAY-UHFFFAOYSA-N
分子式: C9H17NO4
平均分子量: 203.24 g/mol
単同位体質量: 203.11575802

名称と識別子

優先名称: 2-(((Tert-butoxy)carbonyl)amino)butanoic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
現地名: 2-[(TERT-ブチルトキシカルボニル)アミノ]ブタン酸
英語名: BOC-DL-2-AMINOBUTYRIC ACID
分子式: C9H17NO4
分子量: 203.24

名称と別名

2-{[(tert-butoxy)carbonyl]amino}butanoic acid2-(((Tert-butoxy)carbonyl)amino)butanoic acidRefChem:447182962-244-277284-64-1Boc-DL-Abu-OH2-[(tert-Butoxycarbonyl)amino]butanoic acidDL-Boc-Aminobutyric acidMFCD002703582-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid2-(Boc-amino)butyric AcidButanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-

名称をさらに表示

2-[(TERT-ブチルトキシカルボニル)アミノ]ブタン酸Boc-DL-2-AbuBOC-DL-2-AMINOBUTYRIC ACID2-(tert-butoxycarbonyl)butanoic acid2-Aminobutanoic acid, N-BOC protected(2R)-2-[(tert-butoxycarbonyl)amino]butanoate

2-((tert-Butoxycarbonyl)amino)butanoic acidNSC335382(R)-2-(tert-butoxycarbonylamino)butanoic acid2-(tert-butoxycarbonylamino)butanoic acidboc-2-aminobutyric acidboc-l-a-aminobutyric acidBoc-D-a-aminobutyric acidn-boc-2-aminobutyric acid

データベース識別子

CAS: 34306-42-8、77284-64-1
PubChem CID: 333522
DTXSID: DTXSID40318757
EC Number: 962-244-2

物性

構造計算による物性

XLogP: 1.5
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: 5
重原子数: 14
形式電荷: 0
複雑度: 219

物理化学的性質

融点: 60 · 60-62 °C
沸点: 334.5 · 334.5±25.0 °C(Predicted)
比重(密度): 1.101 · 1.101±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 4 · 4.00±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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