5(6H)-Quinolinone, 7,8-dihydro-

HCID 3016811CAS 53400-41-2

기본 정보

표준 SMILES: O=C1CCCc2ncccc21
InChIKey: YHHBKPWMEXGLKE-UHFFFAOYSA-N
분자식: C9H9NO
평균 분자량: 147.17 g/mol
단동위원소 질량: 147.06841391

이름 및 식별자

우선 이름: 5(6H)-Quinolinone, 7,8-dihydro-
IUPAC: 7,8-dihydro-6H-quinolin-5-one
영어명: 5,6,7,8-Tetrahydroquinolinone-5
분자식: C9H9NO
분자량: 147.17

이름 및 동의어

53400-41-27,8-Dihydro-5(6H)-quinolinone5(6H)-Quinolinone, 7,8-dihydro-DTXSID70201567RefChem:527546DTXCID001240587,8-Dihydroquinolin-5(6H)-one7,8-dihydro-6H-quinolin-5-one5,6,7,8-Tetrahydroquinolin-5-one5,6,7,8-Tetrahydroquinolinone-55,6,7,8-Tetrahydro-5-quinolinoneMFCD02181161

이름 더 보기

7,8-dihydroquinolin-5(6H)-one hydrochloridein-5(6H)-on7,8-DihydroquinoL7,8-Dihydro-6H-isoquin-5-one7,8-dihydro-5(6H)-Quinoli...7,8-Dihydroquinolin-5(6H)-on

7,8-Dihydro-5(6H)-quinolone5-Oxo-5,6,7,8-tetrahydroquinoline4,5,6,7,8-tetrahydro-5-quinolinone7,8-dihydroquinoline-5(6H)-oneSCHEMBL936485orb3022765SCHEMBL1450285SCHEMBL1652032

데이터베이스 식별자

CAS: 53400-41-2
PubChem CID: 3016811
DTXSID: DTXSID70201567
ChEMBL: CHEMBL3586000
EC Number: 692-491-9
Nikkaji: J89.779E

물성

구조 계산 물성

XLogP: 1
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 167

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 116 · 116-117 °C(Press: 6 Torr)
밀도: 1.168 · 1.168±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
산도 계수 (pKa): 3.85 · 3.85±0.20(Predicted)
물리적 상태: 액체
색상: 옐로우 브라운 컬러
InChI: InChI=1S/C9H9NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h2-3,6H,1,4-5H2
InChIKey: YHHBKPWMEXGLKE-UHFFFAOYSA-N
SMILES: N1C2=C(C(=O)CCC2)C=CC=1

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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933499090

화학 및 산업

응용 분야 · 1건

용도7,8-Dihydro-5(6H)-quinolone is used as a reagent in the synthesis of pyridino N-alkylated nicotine analogs which can serve as nicotinic acetylcholine receptor antagonists. 7,8-Dihydro-5(6H)-quinolone is also used in the total synthesis of (±)-tangutorine, a novel indole alkaloid.