메틸4-아미노-3-메틸벤조에이트

Methyl 4-amino-3-methylbenzoate

HCID 2736799CAS 18595-14-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccc(N)c(C)c1
InChIKey: ZHIPSMIKSRYZFV-UHFFFAOYSA-N
분자식: C9H11NO2
평균 분자량: 165.19 g/mol
단동위원소 질량: 165.07897859

이름 및 식별자

우선 이름: Methyl 4-amino-3-methylbenzoate
IUPAC: methyl 4-amino-3-methylbenzoate
현지명: 메틸4-아미노-3-메틸벤조에이트
영어명: Methyl 4-amino-3-methylbenzoate
분자식: C9H11NO2
분자량: 165.19

이름 및 동의어

Methyl 4-amino-3-methylbenzoate18595-14-7DTXSID70371613RefChem:157583DTXCID903226474-amino-3-methylbenzoic acid methyl esterMethyl 4-Amino-3-Methyl-Benzoate4-amino-3-toluic acid methyl esterMFCD00102230Benzoic acid, 4-amino-3-methyl-, methyl estermethyl 3-methyl-4-aminobenzoatemethyl 4-amino-3-methylbenzenecarboxylate

이름 더 보기

메틸4-아미노-3-메틸벤조에이트AKOS BB-3094benzenecarboxyL4-Amino-3-methylBUTTPARK 37\12-51Methyl 4-amino-3-metmethyl-4-amino-3-methylbenzateMethyl 4-Amion-3-Methylbenzoate

4-amino-m-toluic acid methyl esterAKOS000113643CS-W002375HY-W002375SB76034methyl4-amino-3-methylbenzoate4-Amino-3-methyl-benzoic Acid Methyl Ester; 4-Amino-m-toluic Acid Methyl Ester; (4-(Methoxycarbonyl)-2-methylphenyl)amine; 4-Amino-3-methylbenzoic Acid Methyl Ester; Methyl 3-Methyl-4-aminobenzoate; Methyl 4-Amino-3-methylbenzoateMethyl 4-Amino-m-toluate

데이터베이스 식별자

CAS: 18595-14-7
PubChem CID: 2736799
DTXSID: DTXSID70371613
UNII: 33QH544GRX
EC Number: 606-066-2
Nikkaji: J82.775D

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 170

물리화학적 성질

녹는점: 116 °C · 116 °C
끓는 점: 314.8 · 314.8±22.0 °C(Predicted)
밀도: 1.132 · 1.132±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO및메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 2.32 · 2.32±0.10(Predicted)
색상: 라이트 베이지

화학적 성질

White to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

안전 데이터

HS 번호: 2922498590
risk_code: 36/37/38-37/38-36-22
hazard_code: Xi,Xn
safety_code: 26-37/39
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도Methyl 4-Amino-3-methylbenzoate is used in the synthesis of neuroprotective hydrazides used in the treatment of Alzheimer’s. It is also used in the research and development of diphenylamine-based retinoids.