1-메틸-1H-인돌-5-카발데하이드

1-methyl-1H-indole-5-carbaldehyde

HCID 7537534

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 90923-75-4
표준 SMILES: Cn1ccc2cc(C=O)ccc21
InChIKey: XIVDZBIBWGQOTI-UHFFFAOYSA-N
분자식: C10H9NO
평균 분자량: 159.18 g/mol
단동위원소 질량: 159.06841391

이름 및 식별자

우선 이름: 1-methyl-1H-indole-5-carbaldehyde
IUPAC: 1-methylindole-5-carbaldehyde
현지명: 1-메틸-1H-인돌-5-카발데하이드
영어명: 1-Methyl-1H-indole-5-carbaldehyde
분자식: C10H9NO
분자량: 159.18

이름 및 동의어

1-methyl-1H-indole-5-carbaldehyde90923-75-41-methylindole-5-carbaldehyde1-Methyl-1H-indole-5-carboxaldehydeMFCD082719081H-Indole-5-carboxaldehyde, 1-methyl-N-methylindole-5-carboxaldehydeCHEMBL3358224BDBM50037843STK501443Y11274Z1201624481

이름 더 보기

1-메틸-1H-인돌-5-카발데하이드1-Methylindolecarbaldehyde5-Formyl-1-methyl-1H-indole1-Methylindole-5-carboxaldehyde1-Methyl-1H-indole-5-carboxaldehyde97%1-Methyl-1H-indole-5-carboxaldehyde 97%

AMY75531H-Indole-5-carboxaldehyde,1-methyl-5-formyl-1-methylindoleN-Methylindol-5-carbaldehydeN-Methylindole-5-carbaldehydeSCHEMBL1125942SCHEMBL6967613SCHEMBL29569100

데이터베이스 식별자

CAS: 90923-75-4
PubChem CID: 7537534
DTXSID: DTXSID90428739
ChEMBL: CHEMBL3358224
EC Number: 804-684-9
Nikkaji: J3.307.954K

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 22 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 181

물리화학적 성질

녹는점: 84 · 84-85.5
끓는 점: 318.7 · 318.7±15.0 °C(Predicted)
밀도: 1.1 · 1.10±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 고체
InChI: InChI=1S/C10H9NO/c1-11-5-4-9-6-8(7-12)2-3-10(9)11/h2-7H,1H3
InChIKey: XIVDZBIBWGQOTI-UHFFFAOYSA-N
SMILES: N1(C)C2=C(C=C(C=O)C=C2)C=C1

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)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.