2-アミノ-N-メチルベンズアミド

2-Amino-N-methylbenzamide

HCID 308072CAS 4141-08-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CNC(=O)c1ccccc1N
InChIKey: KIMWOULVHFLJIU-UHFFFAOYSA-N
分子式: C8H10N2O
平均分子量: 150.18 g/mol
単同位体質量: 150.07931294

概要

N-Methylanthranilamide is an aminobenzoic acid.

名称と識別子

優先名称: 2-Amino-N-methylbenzamide
IUPAC: 2-amino-N-methylbenzamide
現地名: 2-アミノ-N-メチルベンズアミド
英語名: 2-Amino-N-methylbenzamide
分子式: C8H10N2O
分子量: 150.18

名称と別名

2-Amino-N-methylbenzamide4141-08-6DTXSID30308703RefChem:465058DTXCID50259829673-048-92-Amino-N-Methyl-BenzamideN-Methyl 2-aminobenzamideN-MethylanthranilamideMFCD00060602benzamide, 2-amino-n-methyl-2-Aminobenzoylmethylamide

名称をさらに表示

2-アミノ-N-メチルベンズアミド2-アミノベンゾイルメチルアミドN-メチル-2-アミノベンズアミドN-メチルアントラニルアミドNSC 207861BUTTPARK 34\02-072-Amino-n-methybenzamideo-AMino-N-MethylbenzaMideN-Methyl-2-aMinobenzaMide2-(Methylcarbamoyl)anilineAnthranilic Acid MethylaMide

Oprea1_113871Benzamide, o-amino-N-methyl-NSC207861CS-W004940NSC-207861AC-4392EN300-17933C17512

データベース識別子

CAS: 4141-08-6
PubChem CID: 308072
DTXSID: DTXSID30308703
ChEBI: CHEBI:81147
EC Number: 673-048-9
Nikkaji: J1.374.332K

物性

構造計算による物性

XLogP: 0.6
極性表面積: 55.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 147

物理化学的性質

融点: 75 °C · 75 °C
沸点: 346.7 · 346.7±25.0 °C(Predicted)
比重(密度): 1.137 · 1.137±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: DMSO、メタノール
外見: 個体
酸解離定数(Pka): 14.73 · 14.73±0.46(Predicted)
色: 白い
CAS データベース: 4141 · 4141-08-6(CAS DataBase Reference)

化学的性質

化学的特性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 3 reports by companies from 3 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

hs_code: 2924297099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT

化学と産業

応用分野 · 2 件

使用2-Amino-N-methylbenzamide is a plant safening agent selected from auxins, auxin precursors, metabolites or derivatives, and acetaminophen or a derivative. Safening examples are provided for fertilizer s, fungicides, insecticides, and herbicides.

一般的な説明2-AMINO-N-METHYLBENZAMIDE is a key synthetic intermediate used to construct the core skeleton of FAK inhibitors (PA-DPPYs). It first reacts with 2,4,5-trichloropyrimidine (or 2,4-dichloro-5-nitropyrimidine) to form the 2-(2-chloro-5-substituted-pyrimidin-4-ylamino) -N-methylbenzamide intermediate, which is subsequently coupled with an aromatic amine containing a phosphate group to ultimately yield a series of bispyrimidine derivatives exhibiting anti-pancreatic cancer activity[6].