7-アミノ-4-メチルクマリン-3-酢酸

7-Amino-4-methylcoumarin-3-acetic acid

HCID 129367CAS 106562-32-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1c(CC(=O)O)c(=O)oc2cc(N)ccc12
InChIKey: QEQDLKUMPUDNPG-UHFFFAOYSA-N
分子式: C12H11NO4
平均分子量: 233.22 g/mol
単同位体質量: 233.06880783

名称と識別子

優先名称: 7-Amino-4-methylcoumarin-3-acetic acid
IUPAC: 2-(7-amino-4-methyl-2-oxochromen-3-yl)acetic acid
現地名: 7-アミノ-4-メチルクマリン-3-酢酸
英語名: 7-Amino-4-methyl-3-coumarinylacetic acid
分子式: C12H11NO4
分子量: 233.22

名称と別名

106562-32-77-Amino-4-methylcoumarin-3-acetic acid7-Amino-4-methyl-3-coumarinylacetic acidDTXSID201476487-AMCA compoundRefChem:105782DTXCID7070139635-163-27-Amca2-(7-Amino-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid2-(7-amino-4-methyl-2-oxochromen-3-yl)acetic acidAMCA-H

名称をさらに表示

7-アミノ-4-メチルクマリン-3-酢酸7-アミノ-4-メチル-3-クマリニル酢酸AMCA blueAMCA (coumarin)AMCA Free Acid (Blue)AMCA acid *CAS#: 106562-32-7*AMINO-METHYL-COUMARINACETICACID7-Amino-4-methylcoumarin-3-aceticAcid>7-Amino-4-methyl-3-coumarinylacetic acid

MFCD000810517-Amino-4-methyl-3-coumarinylacetic acid(AMCA)7-Amino-4-methylcoumarin-3-acetateSCHEMBL722252H-1-Benzopyran-3-acetic acid, 7-amino-4-methyl-2-oxo-AMCA acid2H-1-Benzopyran-3-acetic acidAMCA carboxylic acid

データベース識別子

CAS: 106562-32-7
PubChem CID: 129367
DTXSID: DTXSID20147648
EC Number: 635-163-2
Nikkaji: J548.222D

物性

構造計算による物性

XLogP: 0.6
極性表面積: 89.6 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: 2
重原子数: 17
形式電荷: 0
複雑度: 388

実験および物理化学的性質

Chemical ClassesDyes -> Coumarin Dyes

Physical DescriptionLight brown powder; [Sigma-Aldrich MSDS]

物理化学的性質

沸点: 512.2 · 512.2±50.0 °C(Predicted)
比重(密度): 1.391 · 1.391±0.06 g/cm3 (20 ºC 760 Torr)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: DMF：可溶
外見: powder to crystal
酸解離定数(Pka): 3.8 · 3.80±0.10(Predicted)
色: Light yellow to Brown
BRN: 7927205 · 7927205
InChI: InChI=1S/C12H11NO4/c1-6-8-3-2-7(13)4-10(8)17-12(16)9(6)5-11(14)15/h2-4H,5,13H2,1H3,(H,14,15)
InChIKey: QEQDLKUMPUDNPG-UHFFFAOYSA-N
SMILES: C1(=O)OC2=CC(N)=CC=C2C(C)=C1CC(O)=O

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)

Aggregated GHS information provided per 39 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

Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Coumarin 120.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29322090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

説明AMCA is fluorescent protein labeling agent. It contains an N-hydroxysuccinimide ester that reacts with lysine residues to form photostable amide links. Upon activation with UV light, AMCA displays emission maxima of 400-460 nm. It has commonly been used in multiplex immunophenotyping applications.

使用7-AMINO-4-METHYL-3-COUMARINYLACETIC ACID is a blue fluorescent dye. Its desirable properties include a relatively large Stoke's shift and resistance to photobleaching. 7-AMINO-4-METHYL-3-COUMARINYLACETIC ACID is used as contrasting probes for double and triple labeling in im

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