1-페닐-2-피리딘-4-일-에타논

1-Phenyl-2-(4-pyridinyl)ethanone

HCID 287104CAS 1620-55-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(Cc1ccncc1)c1ccccc1
InChIKey: ACULMSXMKICJIS-UHFFFAOYSA-N
분자식: C13H11NO
평균 분자량: 197.23 g/mol
단동위원소 질량: 197.08406397

이름 및 식별자

우선 이름: 1-Phenyl-2-(4-pyridinyl)ethanone
IUPAC: 1-phenyl-2-pyridin-4-ylethanone
현지명: 1-페닐-2-피리딘-4-일-에타논
영어명: 1-Phenyl-2-pyridin-4-yl-ethanone
분자식: C13H11NO
분자량: 197.23

이름 및 동의어

1620-55-91-Phenyl-2-(4-pyridinyl)ethanoneRefChem:10562931-Phenyl-2-(pyridin-4-yl)ethanone4-Phenacylpyridine1-phenyl-2-pyridin-4-ylethanoneEthanone, 1-phenyl-2-(4-pyridinyl)-2-(4-Pyridyl)acetophenone1-phenyl-2-(pyridin-4-yl)ethan-1-oneMFCD002349691-PHENYL-2-PYRIDIN-4-YL-ETHANONE1-phenyl-2-(4-pyridinyl)-ethanone

이름 더 보기

1-페닐-2-피리딘-4-일-에타논

NSC1465044-pyridylacetophenonepyridine, 4-phenacyl-Phenyl 4-pyridylmethyl ketoneSCHEMBL11573531-phenyl-2-pyrid-4-ylethanoneAcetophenone, 2-(4-pyridyl)-1-phenyl-2-(4-pyridinyl)-eth

데이터베이스 식별자

CAS: 1620-55-9
PubChem CID: 287104
DTXSID: DTXSID10301813
EC Number: 664-134-7
Nikkaji: J515.687D

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 203

물리화학적 성질

녹는점: 100 · 100-105 °C
끓는 점: 350.3 · 350.3±17.0 °C(Predicted)
밀도: 1.127 · 1.127±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 5.31 · 5.31±0.10(Predicted)
InChI: InChI=1S/C13H11NO/c15-13(12-4-2-1-3-5-12)10-11-6-8-14-9-7-11/h1-9H,10H2
InChIKey: ACULMSXMKICJIS-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=CC=C1)CC1C=CN=CC=1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.