3-메틸-4-(6-메틸-피리딘-3-일록시)-페닐아민

3-Methyl-4-((6-methylpyridin-3-yl)oxy)aniline

HCID 11424434

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 537705-06-9
표준 SMILES: Cc1ccc(Oc2ccc(N)cc2C)cn1
InChIKey: GBMQBBQKWXOOJZ-UHFFFAOYSA-N
분자식: C13H14N2O
평균 분자량: 214.26 g/mol
단동위원소 질량: 214.11061307

이름 및 식별자

우선 이름: 3-Methyl-4-((6-methylpyridin-3-yl)oxy)aniline
IUPAC: 3-methyl-4-[(6-methyl-3-pyridinyl)oxy]aniline
현지명: 3-메틸-4-(6-메틸-피리딘-3-일록시)-페닐아민
영어명: 3-Methyl-4-(6-methyl-pyridin-3-yloxy)-phenylamine
분자식: C13H14N2O
분자량: 214.26

이름 및 동의어

537705-06-93-Methyl-4-((6-methylpyridin-3-yl)oxy)aniline3-METHYL-4-(6-METHYL-PYRIDIN-3-YLOXY)-PHENYLAMINE3-Methyl-4-(6-methylpyridin-3-yl)oxyaniline3-METHYL-4-(6-METHYLPYRIDIN-3-YLOXY)ANILINE3-methyl-4-[(6-methylpyridin-3-yl)oxy]anilineMFCD066572663-METHYL-4-[(6-METHYL-3-PYRIDINYL)OXY]ANILINESCHEMBL215985SCHEMBL4798131DTXSID00465433GBMQBBQKWXOOJZ-UHFFFAOYSA-N

이름 더 보기

3-메틸-4-(6-메틸-피리딘-3-일록시)-페닐아민Benzenamine, 3-methyl-4-[(6-methyl-3-pyridinyl)oxy]-3-methyl-4-((6-methylpyridin-3-yl)oxy)aniline(WXC05984)

AR2453AKOS0113523363-Methyl-4-((6-methylpyridin-3-yl)SY123424CS-00380543-methyl-4-[(6-methyl-3-pyridyl)oxy]aniline4-(6-methylpyridin-3-yloxy)-3-methylbenzenamine3-Methyl-4-(6-methyl-pyridin-3-yloxy)phenylamine

데이터베이스 식별자

CAS: 537705-06-9
PubChem CID: 11424434
DTXSID: DTXSID00465433

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 48.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 222

물리화학적 성질

끓는 점: 349.9 · 349.9±42.0 °C(Predicted)
밀도: 1.139 · 1.139±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.65 · 4.65±0.10(Predicted)

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도3-Methyl-4-(6-methylpyridin-3-yloxy)aniline is a versatile reactant used in the preparation of alkoxypyrazolopyrimidines with EGFR and erbB2 receptor tyrosine kinase inhibitory activity.