4-chloro-1-isobutyl-1H-imidazo[4,5-c]quinoline

HCID 383961

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 99010-64-7
표준 SMILES: CC(C)Cn1cnc2c(Cl)nc3ccccc3c21
InChIKey: RRCWSLBKLVBFQD-UHFFFAOYSA-N
분자식: C14H14ClN3
평균 분자량: 259.73 g/mol
단동위원소 질량: 259.08762513

이름 및 식별자

우선 이름: 4-chloro-1-isobutyl-1H-imidazo[4,5-c]quinoline
IUPAC: 4-chloro-1-(2-methylpropyl)imidazo[4,5-c]quinoline
영어명: 4-Chloro-1-(2-methylpropyl)-1H-imidazo[4,5-c]quinoline
분자식: C14H14ClN3
분자량: 259.73

이름 및 동의어

99010-64-74-Chloro-1-(2-methylpropyl)-1H-imidazo[4,5-c]quinoline4-Chloro-1-isobutyl-1H-imidazo[4,5-c]quinolineChlorodeaminoimiquimodNJ5E4GY4NYNSC-6729654-chloro-1-isobutyl-1H-imidazo(4,5-c)quinolineUNII-NJ5E4GY4NYChlorodeaminoimiquimod [USP]4-chloro-1-(2-methylpropyl)-1h-imidazo(4,5-c)quinolineDTXSID503276331H-Imidazo(4,5-C)quinoline, 4-chloro-1-(2-methylpropyl)-

이름 더 보기

IMiquiMod Related CoMpound Ccas 99010-64-7Imiquimod USP RC CImiquimod Impurity-CDesaMino ChloroiMiquiMod1H-Imidazo[4,5-c]quinoline,Imiquimod USP Related Compound CImiquimod USP related Substance C4-Chloro-1-isobutyl-1H-imidazo[4,5-1H-IMIDAZO[4,5-C]QUINOLINE, 4-CHLORO-1-(

CHLORODEAMINOIMIQUIMOD [USP IMPURITY]Chlorodeaminoimiquimod (USP)CHLORODEAMINOIMIQUIMOD (USP IMPURITY)1H-IMIDAZO[4,5-C]QUINOLINE, 4-CHLORO-1-(2-METHYLPROPYL)-RefChem:98300DTXCID20278744619-386-2939-507-5

데이터베이스 식별자

CAS: 99010-64-7
PubChem CID: 383961
DTXSID: DTXSID50327633
ChEMBL: CHEMBL192111
UNII: NJ5E4GY4NY
EC Number: 619-386-2、939-507-5

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 30.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 297

물리화학적 성질

녹는점: 139 · 139-140 °C(Solv: isopropanol (67-63-0))
끓는 점: 427.5 · 427.5±48.0 °C(Predicted)
밀도: 1.29 · 1.29±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.15 · 3.15±0.30(Predicted)
색상: 흰색에서 황백색까지
주요 응용: 제약
InChI: InChI=1S/C14H14ClN3/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3
InChIKey: RRCWSLBKLVBFQD-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C2N(CC(C)C)C=NC=2C=1Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

유해성 정보

Regulatory InformationStatus: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26365

Hazard Classes and Categories · 2건

Acute Tox. 4 (100%)

Not Classified

안전 데이터

wgk: WGK 3
HS 번호: 2934990002
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야 · 2건

개요4-Chloro-1-(2-methylpropyl)-1H-imidazo[4,5-c]quinoline is a chemical product that has been used as a photosynthetic activator in weed science and pest control. It has been shown to significantly increase the growth rate of wheat, soybean, and oilseed crops. It is also effective at controlling weeds by inhibiting their ability to produce chlorophyll, thereby preventing them from photosynthesizing. 4-Chloro-1-(2-methylpropyl)-1H-imidazo[4,5-c]quinoline has also been shown to be an effective herbicide for agricultural use.

용도Desamino Chloroimiquimod (Imiquimod USP Related Compound C) is a pharmacologically active compound related to Imiquimod (I475000), an immune response modifier. It stimulates the production of Interferon-a.