2-(2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)ethoxy)acetic acid

HCID 45599183

ノート反応

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基本情報

CAS: 260367-12-2
標準SMILES: O=C(O)COCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIKey: LBVXPUINIMIGAU-UHFFFAOYSA-N
分子式: C19H19NO5
平均分子量: 341.4 g/mol
単同位体質量: 341.12632271

名称と識別子

優先名称: 2-(2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)ethoxy)acetic acid
IUPAC: 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]acetic acid
英語名: 5-(9-Fluorenylmethyloxycarbonyl-amino)-3-oxapentanoic acid
分子式: C19H19NO5
分子量: 341.36

名称と別名

2-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethoxy)acetic acid2-[2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)ETHOXY]ACETIC ACIDRefChem:452250980-113-8260367-12-2Fmoc-NH-PEG1-CH2COOHMFCD067968762-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]acetic acidFmoc-AEA(2-Fmoc-aminoethoxy)acetic acidAcetic acid, 2-[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethoxy]-DTXSID70670774

名称をさらに表示

Fmoc-PEG1-CH2COOHFmoc-PEG1-acetic acidFMOC-O1PEN-OHFmoc-NH-dPEG1-COOHFmoc-NH-(PEG)1-CH2COOH - 1 gFmoc-N-amido-PEG1-acetic acid[2-(FMOC-AMINO)ETHOXY]ACETIC ACID5-(FMOC-AMINO)-3-OXAPENTANOIC ACID

Fmoc-5-Amino-3-oxapentanoic acid2-[2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]ethoxy]acetic acid2-[2-(Fmoc-amino)ethoxy]acetic AcidHY-W055861DS-7729BP-22043Fmoc-N-amido-PEG-CH2COOH, MW 2,0002-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl] amino}ethoxy)acetic acid

データベース識別子

CAS: 260367-12-2
PubChem CID: 45599183
DTXSID: DTXSID70670774
UNII: K2JB33K24C
EC Number: 980-113-8

物性

構造計算による物性

XLogP: 2.5
極性表面積: 84.9 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 8
重原子数: 25
形式電荷: 0
複雑度: 447

物理化学的性質

融点: 83 · 83-89°
沸点: 602.6 · 602.6±40.0 °C(Predicted)
比重(密度): 1.287 · 1.287±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 3.43 · 3.43±0.10(Predicted)
外見: Solid
色: White to off-white
InChI: InChI=1S/C19H19NO5/c21-18(22)12-24-10-9-20-19(23)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,20,23)(H,21,22)
InChIKey: LBVXPUINIMIGAU-UHFFFAOYSA-N
SMILES: C(O)(=O)COCCNC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2922390090

化学と産業

応用分野

説明Fmoc-NH-PEG1-CH2COOH is a degradable ADC linker for antibody drug conjugate (ADC) synthesis. Fmoc-NH-PEG1-CH2COOH is also a PEG-based PROTAC linker that can be used for PROTAC synthesis.

使用2-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethoxy)acetic Acid can be used as reactant/reagent in modular platform to develop peptoid-based selective fluorescent metal sensors.

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化合物ノート

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