1-(4-아미노-2-메틸퀴놀린-3-YL)에타논

1-(4-Amino-2-methylquinolin-3-yl)ethanone

HCID 672297

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 71993-15-2
표준 SMILES: CC(=O)c1c(C)nc2ccccc2c1N
InChIKey: YFGFFNPPTDOYLI-UHFFFAOYSA-N
분자식: C12H12N2O
평균 분자량: 200.24 g/mol
단동위원소 질량: 200.09496301

이름 및 식별자

우선 이름: 1-(4-Amino-2-methylquinolin-3-yl)ethanone
IUPAC: 1-(4-amino-2-methylquinolin-3-yl)ethanone
현지명: 1-(4-아미노-2-메틸퀴놀린-3-YL)에타논
영어명: 1-(4-AMINO-2-METHYLQUINOLIN-3-YL)ETHANONE
분자식: C12H12N2O
분자량: 200.24

이름 및 동의어

1-(4-amino-2-methylquinolin-3-yl)ethanone71993-15-2DTXSID40350051RefChem:224776DTXCID603011211-(4-amino-2-methylquinolin-3-yl)ethan-1-oneCHEMBL15312571-(4-amino-2-methyl-3-quinolyl)ethanone1-(4-amino-2-methyl-3-quinolinyl)ethanoneSMR000079846MLS000066220MLS005940053

이름 더 보기

1-(4-아미노-2-메틸퀴놀린-3-YL)에타논Ethanone,1-(4-aMino-2-Methyl-3-quinolinyl)-1-(4-amino-2-methylquinolin-3-yl)ethan-1-one - [A93168]

SCHEMBL6654332CHEBI:111296HMS2303A08HMS5173G193-acetyl-4-amino-2-methylquinolineBDBM50110699EBC-06546MFCD04220752

데이터베이스 식별자

CAS: 71993-15-2
PubChem CID: 672297
DTXSID: DTXSID40350051
ChEMBL: CHEMBL1531257
ChEBI: CHEBI:111296
EC Number: 979-599-4

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 56 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 254

물리화학적 성질

녹는점: 151 · 151-153 °C(Solv: benzene (71-43-2))
끓는 점: 369.3 · 369.3±37.0 °C(Predicted)
밀도: 1.2 · 1.200±0.06 g/cm3(Predicted)
산도 계수 (pKa): 7.68 · 7.68±0.50(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

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