1,3-디메틸인돌

1,3-Dimethylindole

HCID 70130CAS 875-30-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cn(C)c2ccccc12
InChIKey: NAPPMSNSLWACIV-UHFFFAOYSA-N
분자식: C10H11N
평균 분자량: 145.2 g/mol
단동위원소 질량: 145.08914936

이름 및 식별자

우선 이름: 1,3-Dimethylindole
IUPAC: 1,3-dimethylindole
현지명: 1,3-디메틸인돌
영어명: 1,3-dimethylindole
분자식: C10H11N
분자량: 145.2

이름 및 동의어

1,3-Dimethylindole875-30-9Indole, 1,3-dimethyl-1H-Indole, 1,3-dimethyl-UNII-NT347J42P8NT347J42P8NSC 6231NSC-6231EINECS 212-872-1DTXSID80236360RefChem:72738Indole, 1,3-dimethyl-(8CI)

이름 더 보기

1,3-디메틸인돌Ramosetron Impurity 28

DTXCID801588511H-Indole, 1,3-dimethyl-(9CI)212-872-1NAPPMSNSLWACIV-UHFFFAOYSA-N1,3-Dimethyl-1H-indoleMFCD00030239N-Methylscatole1-Methylskatole

데이터베이스 식별자

CAS: 875-30-9
PubChem CID: 70130
DTXSID: DTXSID80236360
UNII: NT347J42P8
EC Number: 212-872-1
Nikkaji: J45.618G

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 4.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 144

실험 및 물리화학적 성질

Kovats Retention Index1383；1359.1

물리화학적 성질

녹는점: 142 °C · 142°C
끓는 점: 258.55 °C · 258.55°C
밀도: 1.0472 · 1.0472 (rough estimate)
굴절률: 1.5 · 1.5000 (estimate)
저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.