7-アミノ-4-メチルクマリン

7-Amino-4-methylcoumarin

HCID 92249
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基本情報

CAS
26093-31-2
標準SMILES
Cc1cc(=O)oc2cc(N)ccc12
InChIKey
GLNDAGDHSLMOKX-UHFFFAOYSA-N
分子式
C10H9NO2
平均分子量
175.18 g/mol
単同位体質量
175.06332853

概要

Coumarin 120 is a member of 7-aminocoumarins. It has a role as a fluorochrome.

名称と識別子

優先名称
7-Amino-4-methylcoumarin
IUPAC
7-amino-4-methylchromen-2-one
現地名
7-アミノ-4-メチルクマリン
英語名
Coumarin 120
分子式
C10H9NO2
分子量
175.18

名称と別名

7-Amino-4-methylcoumarin26093-31-2Coumarin 1207-Amino-4-methyl-2H-chromen-2-one2H-1-Benzopyran-2-one, 7-amino-4-methyl-4-Methyl-7-aminocoumarinCoumarin, 7-amino-4-methyl-7-AMINO-4-METHYL-CHROMEN-2-ONE7-amino-4-methylchromen-2-oneOCY3JCT44X7-amino-4-methyl-coumarinNSC-45796
名称をさらに表示
7-アミノ-4-メチルクマリンクマリン4407-アミノ-4-メチル-2H-1-ベンゾピラン-2-オン4-メチル-7-アミノクマリンクマリン1204-メチル-7-アミノ-2H-1-ベンゾピラン-2-オン7‐アミノ‐4‐メチルクマリン7-アミノ-4-メチルクマリン, 98%C1207-AMCAMC 7-Amino-4-MethylcoumarinH-MCAC 120
CHEBI:51771DTXSID40885333RefChem:545384DTXCID0010247182H-1-benzopyran-2-one, 7-amino-4-methyl247-454-8Coumarin 440AMC

データベース識別子

CAS
26093-31-2
PubChem CID
92249
DTXSID
DTXSID40885333
ChEMBL
CHEMBL270672
ChEBI
CHEBI:51771
UNII
OCY3JCT44X
EC Number
247-454-8
Nikkaji
J150.531I

物性

構造計算による物性

XLogP
1.6
極性表面積
52.3 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
0
重原子数
13

実験および物理化学的性質

Chemical ClassesDyes -> Coumarin Dyes
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesChemical shift
Physical DescriptionPowder; [MSDS]

物理化学的性質

融点
223 · 223-226 °C (lit.)
沸点
306.47 °C · 306.47°C (rough estimate)
比重(密度)
1.1999 · 1.1999 (rough estimate)
屈折率
1.506 · 1.5060 (estimate)
貯蔵温度
2 · 2-8°C
溶解性
10 mg/ml）、ジメチルスルホキシド · アセトン（10 mg/ml）、ジメチルスルホキシド（10 mg/ml）、ジメチルホルムアミドに可溶。

化学的性質

化学的特性Coumarin 120 is Light yellow beige powder

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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryMay cause skin and respiratory tract irritation; [MSDSonline] The 3 laser dyes tested for skin sensitization were found to be negative. [Blackwell Synergy - Contact Dermatitis, Volume 21, Issue 3, Page 141-147, September 1989] See Coumarin.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
32049000
risk_code
36/37/38-20/21/22
hazard_code
Xi,Xn
hazard_note
Irritant

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

用途と製造

Uses · 2 件

Coumarins are used as laser dyes. Coumarin 120 (Kodak) is the parent compound of the oldest aminocoumarin laser dye, which is Coumarin 311 (Kodak). [Ullmann: Laser Dyes]

Synthetic Polymer MALDI Matrix Compounds

General Manufacturing Information2H-1-Benzopyran-2-one, 7-amino-4-methyl-: ACTIVE

応用分野

使用Coumarin 120 is widely used fluorophore, well-known for preparing fluorogenic substrates for cystine aminopeptidase and other hydrolases. Used as reference compound in enzyme assays.

一般的な説明7-Amino-4-methylcoumarin (coumarin120) is an aminocoumarin laser dye that can emit laser in the range of 370-760 nm. It has three intermolecular hydrogen bonded structures with C-H···O and N-H····O.

調製方法 · 1 件

純化方法Dissolve it in 5% HCl, filter and basify with 2M ammonia. The precipitate is dried in a vacuum and recrystallised from dilute EtOH. It yields a blue solution and is light sensitive. [Sigler Synthesis 614 1980, Kanaoka et al. Chem Pharm Bull Jpn 30 1485 1982, Beilstein 18/11 V 445.]

上流・下流製品情報

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