5-아미노-2-메틸-벤조산메틸에스테르

Methyl 5-Amino-2-methylbenzoate

HCID 15049977

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 18595-12-5
표준 SMILES: COC(=O)c1cc(N)ccc1C
InChIKey: JNPZKGOLYSCSEL-UHFFFAOYSA-N
분자식: C9H11NO2
평균 분자량: 165.19 g/mol
단동위원소 질량: 165.07897859

이름 및 식별자

우선 이름: Methyl 5-Amino-2-methylbenzoate
IUPAC: methyl 5-amino-2-methylbenzoate
현지명: 5-아미노-2-메틸-벤조산메틸에스테르
영어명: 5-Amino-2-methyl-benzoic acid methyl ester
분자식: C9H11NO2
분자량: 165.19

이름 및 동의어

Methyl 5-Amino-2-Methylbenzoate18595-12-5DTXSID30567555RefChem:355975DTXCID70518329808-148-55-Amino-2-methyl-benzoic acid methyl ester5-amino-2-methylbenzoic acid methyl esterMFCD08752568SCHEMBL1321845AKOS005259440CS-W003565

이름 더 보기

5-아미노-2-메틸-벤조산메틸에스테르3-Amino-6-Methyl benzoateMethyl 2-Methyl-5-aMinobenzoate5-Amino-o-toluic Acid Methyl EsterMethyl5-amino-2-methylbenzoate,98%Methyl 5-Amino-2-methylbenzoate >Methyl 5-amino-2-methylbenzoate 97%Methyl 5-AMino-2-Methylbenzoate, 95+%2-Methyl-5-aminobenzoic acid methyl ester

AC-5047M25405-amino-2-methyl benzoic acid methyl esterMethyl5-Amino-2-Methylbenzoatemethyl 5-amino-2-methyl-benzoateBenzoic acid, 5-amino-2-methyl-, methyl esterBCP24565Methyl 5-Amino-o-toluate

데이터베이스 식별자

CAS: 18595-12-5
PubChem CID: 15049977
DTXSID: DTXSID30567555
EC Number: 808-148-5
Nikkaji: J82.773H

물성

구조 계산 물성

XLogP: 2.1
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: 39 · 39-40℃
끓는 점: 285.4 · 285.4±20.0 °C(Predicted)
밀도: 1.132 · 1.132±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 3.88 · 3.88±0.10(Predicted)
색상: 옅은 갈색에서 빨간색까지

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.