BOC-N-メチル-Γ-アミノ酪酸

4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid

HCID 10656390

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 94994-39-5
標準SMILES: CN(CCCC(=O)O)C(=O)OC(C)(C)C
InChIKey: PXAKQDWAISFHCM-UHFFFAOYSA-N
分子式: C10H19NO4
平均分子量: 217.26 g/mol

名称と識別子

優先名称: 4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
IUPAC: 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
現地名: BOC-N-メチル-Γ-アミノ酪酸
英語名: 4-[(tert-Butoxycarbonyl)(methyl)amino]butanoic acid
分子式: C10H19NO4
分子量: 217.26

名称と別名

4-{[(tert-butoxy)carbonyl](methyl)amino}butanoic acid4-(((tert-butoxy)carbonyl)(methyl)amino)butanoic acid4-([(tert-Butoxy)carbonyl](methyl)amino)butanoic acidRefChem:508693837-904-794994-39-54-((tert-Butoxycarbonyl)(methyl)amino)butanoic acidBoc-N-methyl-gamma-aminobutyric acidMFCD09831984Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]methylamino]-4-[(tert-butoxycarbonyl)(methyl)amino]butanoic acid4-(N-BOC-N-METHYL-AMINO)-BUTYRIC ACID

名称をさらに表示

BOC-N-メチル-Γ-アミノ酪酸4-[N-Boc-(methylamino)]butanoic acid(Tert-Butoxy)Carbonyl N-Me-Abu(4)-OH

4-(tert-butoxycarbonyl-methyl-amino)-butyric acid4-[tert-butoxycarbonyl(methyl)amino]butanoic acid4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic Acid4-((tert-butoxycarbonyl)(methyl)amino)butanoicacidBoc-N-Me-GABA4-[(TERT-BUTOXYCARBONYL)(METHYL)AMINO]BUTANOICACID4-[{[(1,1-Dimethylethyl)oxy]carbonyl}(methyl)amino)butanoic acid4-[{[(1,1-dimethylethyl)oxy]carbonyl}(methyl)amino]butanoic acid

データベース識別子

CAS: 94994-39-5
PubChem CID: 10656390
EC Number: 837-904-7

物性

構造計算による物性

XLogP: 1
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: 332.5 · 332.5±21.0 °C(Predicted)
比重(密度): 1.091 · 1.091±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 4.7 · 4.70±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (50%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野

使用4-((tert-Butoxycarbonyl)(methyl)amino)butanoic Acid is used in preparation of substituted straight chain spiro derivatives as menin/MLL protein/protein interaction inhibitors useful for treating diseases.