2-아미노-N-메틸벤자미드

2-Amino-N-methylbenzamide

HCID 308072

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4141-08-6
표준 SMILES: CNC(=O)c1ccccc1N
InChIKey: KIMWOULVHFLJIU-UHFFFAOYSA-N
분자식: C8H10N2O
평균 분자량: 150.18 g/mol
단동위원소 질량: 150.07931294

개요

N-Methylanthranilamide is an aminobenzoic acid.

이름 및 식별자

우선 이름: 2-Amino-N-methylbenzamide
IUPAC: 2-amino-N-methylbenzamide
현지명: 2-아미노-N-메틸벤자미드
영어명: 2-Amino-N-methylbenzamide
분자식: C8H10N2O
분자량: 150.18

이름 및 동의어

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

이름 더 보기

2-아미노-N-메틸벤자미드NSC 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: 75 °C · 75 °C
끓는 점: 346.7 · 346.7±25.0 °C(Predicted)
밀도: 1.137 · 1.137±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO및메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 14.73 · 14.73±0.46(Predicted)
색상: 하얀색

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2924297099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 2건

용도2-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.

일반 설명2-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].