Methyl quinoline-6-carboxylate

HCID 736812CAS 38896-30-9

기본 정보

표준 SMILES: COC(=O)c1ccc2ncccc2c1
InChIKey: XSRWQTDEIOHXSL-UHFFFAOYSA-N
분자식: C11H9NO2
평균 분자량: 187.19 g/mol
단동위원소 질량: 187.06332853

이름 및 식별자

우선 이름: Methyl quinoline-6-carboxylate
IUPAC: methyl quinoline-6-carboxylate
영어명: Methyl quinoline-6-carboxylate
분자식: C11H9NO2
분자량: 187.19

이름 및 동의어

methyl quinoline-6-carboxylate38896-30-9methyl 6-quinolinecarboxylateDTXSID40353108XSRWQTDEIOHXSL-UHFFFAOYSA-RefChem:818069DTXCID00304171609-595-7InChI=1/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H36-Quinolinecarboxylic acid, methyl ester6-Quinolinecarboxylic Acid Methyl EsterMFCD00956766

이름 더 보기

Methyl6-Quinolinecarboxylate>METHYL QUINOLINE-6-CARBOOXYLATEMethyl quinoline-6-carboxylate 97%Methyl 6-Quinolinecarboxylatel Ester1-(1H-1,3-BENZODIAZOL-2-YL)-1H-PYRAZOL-8-AMINEMETHYL QUINOLINE-6-CARBOXYLATE ISO 9001：2015 REACH

SCHEMBL265015MLS000084874CCG-42627AKOS005171599CS-W002712SMR000019220SR-01000403901-1Quinoline-6-carboxylic acid methyl ester

데이터베이스 식별자

CAS: 38896-30-9
PubChem CID: 736812
DTXSID: DTXSID40353108
ChEMBL: CHEMBL1596204
EC Number: 609-595-7
Nikkaji: J1.828.731E

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 217

물리화학적 성질

녹는점: 88 °C · 88 °C
끓는 점: 315.1 · 315.1±15.0 °C(Predicted)
밀도: 1.21 · 1.210±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 4.06 · 4.06±0.10(Predicted)
색상: White to Light yellow to Dark green
InChI: InChI=1S/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3
InChIKey: XSRWQTDEIOHXSL-UHFFFAOYSA-N
SMILES: N1C2C(=CC(C(OC)=O)=CC=2)C=CC=1

화학적 성질

White solid

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.