1-メチル-1H-インドール-3-カルボン酸

1-Methylindole-3-carboxylic acid

HCID 854040CAS 32387-21-6
部分構造検索類似構造を探す

基本情報

標準SMILES
Cn1cc(C(=O)O)c2ccccc21
InChIKey
HVRCLXXJIQTXHC-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

1-methylindole-3-carboxylic acid has been reported in Arabidopsis thaliana and Eutrema japonicum with data available.

名称と識別子

優先名称
1-Methylindole-3-carboxylic acid
IUPAC
1-methylindole-3-carboxylic acid
現地名
1-メチル-1H-インドール-3-カルボン酸
英語名
1-Methyl-1H-indole-3-carboxylic acid
分子式
C10H9NO2
分子量
175.18

名称と別名

32387-21-61-Methylindole-3-carboxylic acidDTXSID70357533RefChem:434637DTXCID20308590628-244-91-Methyl-1H-Indole-3-Carboxylic Acid1-Methyl-3-indolecarboxylic acid1H-Indole-3-carboxylic acid, 1-methyl-MFCD013212441-Methylindole-3-carboxylicacidBionet2_001079
名称をさらに表示
1-メチル-1H-インドール-3-カルボン酸1-メチルインドール-3-カルボン酸RARECHEM AL BE 0557Ramosetron Impurity 7N-Methylindole acetateMethylindole-3-carboxylic1-METHYLINDOLE-3-CARBOXYLIC ACID 97%1-Methylindole-3-carboxylic acid ,97%
Ramosetron Impurity 20SCHEMBL535878orb3031548SCHEMBL7871885CHEMBL1650259SCHEMBL29965768N-methylindole-3-carboxylic acid1-methylindole-3-carboxilic acid

データベース識別子

CAS
32387-21-6
PubChem CID
854040
DTXSID
DTXSID70357533
ChEMBL
CHEMBL1650259
EC Number
628-244-9
Nikkaji
J1.089.399B

物性

構造計算による物性

XLogP
1.8
極性表面積
42.2 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
1
重原子数
13

物理化学的性質

融点
197 · 197-200 °C (dec.) (lit.)
沸点
389 · 389.0±15.0 °C(Predicted)
比重(密度)
1.24 · 1.24±0.1 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
酸解離定数(Pka)
4.01 · 4.01±0.10(Predicted)
外見
結晶性粉末

化学的性質

化学的特性Off-white solid

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 41 reports by companies from 4 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 CategoriesSkin Irrit. 2 (100%)

安全データ

wgk
3
hs_code
29339900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
hazard_class
IRRITANT

化学と産業

応用分野 · 2 件

使用Reactant for preparation of bisindolyl pyrimidinones analogs of PKC inhibitor LY333531Reactant for preparation of (heteroaryl)(carboxamido)arylpyrrole derivatives as Cdc7 kinase inhibitors, antitumor and antiproliferative agentsReactant for preparation of (pyrrolidinylmethoxy)cyclohexanecarboxylic acids as antigen-4 (VLA-4) antagonistsReactant for preparation of EphB3 receptor tyrosine kinase inhibitorsReactant for preparation of pyrazolodiazepine derivatives as human P2X7 receptor antagonistsReactant for preparation of potent nonpeptidic urotensin II receptor agonistsReactant for preparation of pyrrolizidine esters, amides, and ureas as 5-HT4 receptor ligands

一般的な説明1-Methylindole-3-carboxylic acid is an indole derivative that can be prepared by the oxidation of 1-methylindole-3-aldehyde with alkaline potassium permanganate.

上流・下流製品情報

サプライヤー50 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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