7-메틸-2,3-DIHYDRO-1H-인돌

7-Methyl-2,3-dihydro-1H-indole

HCID 12377788CAS 65673-86-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccc2c1NCC2
InChIKey: WHPDSANSNOUOLZ-UHFFFAOYSA-N
분자식: C9H11N
평균 분자량: 133.19 g/mol
단동위원소 질량: 133.08914935

이름 및 식별자

우선 이름: 7-Methyl-2,3-dihydro-1H-indole
IUPAC: 7-methyl-2,3-dihydro-1H-indole
현지명: 7-메틸-2,3-DIHYDRO-1H-인돌
영어명: 7-Methyl-2,3-dihydro-1H-indole
분자식: C9H11N
분자량: 133.19

이름 및 동의어

65673-86-17-METHYL-2,3-DIHYDRO-1H-INDOLEDTXSID70495227RefChem:311028DTXCID704460377-methylindoline1H-Indole, 2,3-dihydro-7-methyl-1H-Indole,2,3-dihydro-7-methyl-7-methyl-indolineMFCD073716312,3-dihydro-7-methylindoleChiglitazar Impurity 26

이름 더 보기

7-메틸-2,3-DIHYDRO-1H-인돌7-Methylindoline 7-Methyl-2,3-dihydro-1H-indole in stock Factory

SCHEMBL1870062SCHEMBL1936960SCHEMBL5536927WHPDSANSNOUOLZ-UHFFFAOYSA-NAKOS002433778MB04566AC-25681DS-11716

데이터베이스 식별자

CAS: 65673-86-1
PubChem CID: 12377788
DTXSID: DTXSID70495227
EC Number: 804-059-0
Nikkaji: J1.677.518E

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 122

물리화학적 성질

끓는 점: 240 · 240-243 °C
밀도: 1.044 g/cm3 · 1.044 g/cm3
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 5.17 · 5.17±0.20(Predicted)
InChI: InChI=1S/C9H11N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-4,10H,5-6H2,1H3
InChIKey: WHPDSANSNOUOLZ-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2C)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.