4-메톡시1-메틸렌

4-Methoxy-1-methylindole

HCID 595238CAS 7556-35-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cccc2c1ccn2C
InChIKey: ATEWBFOJLQMYEA-UHFFFAOYSA-N
분자식: C10H11NO
평균 분자량: 161.2 g/mol
단동위원소 질량: 161.08406397

이름 및 식별자

우선 이름: 4-Methoxy-1-methylindole
IUPAC: 4-methoxy-1-methylindole
현지명: 4-메톡시1-메틸렌
영어명: 4-Methoxy-1-methylindole
분자식: C10H11NO
분자량: 161.2

이름 및 동의어

4-Methoxy-1-methylindoleRefChem:524480895-288-54-Methoxy-1-methyl-1H-indole7556-35-6MFCD000106791H-Indole, 4-methoxy-1-methyl-4-methoxy-1-methyl-indoleSCHEMBL347727SCHEMBL28136888SCHEMBL29989576DTXSID40344233

이름 더 보기

4-메톡시1-메틸렌AKOS JY20830304-Methoxy-1-methylindole 98%1-Methyl-4-methoxy-1H-indole

4-Methoxy-1-methylindole, 98%4-Methoxy-1-methyl-1H-indole #AKOS004119546PS-6076SY397551DB-055966CS-0141834S12063

데이터베이스 식별자

CAS: 7556-35-6
PubChem CID: 595238
DTXSID: DTXSID40344233
EC Number: 895-288-5
Nikkaji: J236.677K

물성

구조 계산 물성

XLogP: 2
극성 표면적: 14.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 89 · 89-91 °C (lit.)
끓는 점: 285.6 · 285.6±13.0 °C(Predicted)
밀도: 1.06 · 1.06±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
InChI: 1S/C10H11NO/c1-11-7-6-8-9(11)4-3-5-10(8)12-2/h3-7H,1-2H3
InChIKey: ATEWBFOJLQMYEA-UHFFFAOYSA-N
SMILES: COc1cccc2n(C)ccc12

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

안전 데이터

wgk: 3
HS 번호: 29339980
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-Methoxy-1-methylindole has been used:as internal standard for the quantification of indole-3-carbinol acetate, indole-3-carbinol and 3,3′-diindolylmethane in mouse plasma, liver and kidney tissues by HPLCin preparation of ethyl 9-methoxy-3,4,5-trimethylpyrrolo[3,2-b]carbazole-2-carboxylate