Methyl 3-methylanthranilate

HCID 2763406CAS 22223-49-0

기본 정보

표준 SMILES: COC(=O)c1cccc(C)c1N
InChIKey: VSFYTPXXMLJNAU-UHFFFAOYSA-N
분자식: C9H11NO2
평균 분자량: 165.19 g/mol
단동위원소 질량: 165.07897859

이름 및 식별자

우선 이름: Methyl 3-methylanthranilate
IUPAC: methyl 2-amino-3-methylbenzoate
영어명: Methyl 2-amino-3-methylbenzoate
분자식: C9H11NO2
분자량: 165.19

이름 및 동의어

22223-49-0Methyl 3-methylanthranilateEINECS 244-847-6BENZOIC ACID, 2-AMINO-3-METHYL-, METHYL ESTERDTXSID50176764RefChem:815579DTXCID8099255244-847-6Methyl 2-amino-3-methylbenzoate2-Amino-3-methylbenzoic Acid Methyl EsterMFCD062009182-Amino-3-methyl-benzoic acid methyl ester

이름 더 보기

Methyl 2-amino-3-metMethyl 2-Amino-m-toluateMethyl 2-aMino-3-Methylbe...Methyl 2-mino-3-MethylbenzoateMethyl 3-methyl-2-aminobenzoateMethyl2-Amino-3-methylbenzoate>2-Amino-m-toluic Acid Methyl EsterMethyl 2-amino-3-methylbenzoate 98%

2-Amino-m-toluic Acid Methyl EsterSTK9781612-Amino-3-methylbenzoesauremethylesterSB75807M2193Methyl2-amino-3-methylbenzoatemethyl 2-amino-3-methyl-benzoate2-Amino-m-toluic Acid Methyl Ester; 2-Carbomethoxy-6-methylaniline; 3-Methylanthranilic Acid Methyl Ester; Methyl 2-Amino-3-methylbenzoate; Methyl 3-Methylanthranilate

데이터베이스 식별자

CAS: 22223-49-0
PubChem CID: 2763406
DTXSID: DTXSID50176764
EC Number: 244-847-6
Nikkaji: J83.161A

물성

구조 계산 물성

XLogP: 2
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: 115 · 115-117°C
끓는 점: 153 ℃/23mm · 153℃/23mm
밀도: 1.132 · 1.132±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 2.05 · 2.05±0.10(Predicted)
물리적 상태: 고체
색상: 분홍색
InChI: 1S/C9H11NO2/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5H,10H2,1-2H3
InChIKey: VSFYTPXXMLJNAU-UHFFFAOYSA-N
SMILES: O=C(OC)C1=C(N)C(C)=CC=C1

화학적 성질

Pale brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.