2-Chloro-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

HCID 240137CAS 28668-58-8

기본 정보

표준 SMILES: O=C(CCl)N1CCCc2ccccc21
InChIKey: CTCLPENRFAHENT-UHFFFAOYSA-N
분자식: C11H12ClNO
평균 분자량: 209.67 g/mol
단동위원소 질량: 209.06074168

이름 및 식별자

우선 이름: 2-Chloro-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
IUPAC: 2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
영어명: 2-Chloro-1-(3,4-dihydro-2H-quinolin-1-yl)-ethanone
분자식: C11H12ClNO
분자량: 209.67

이름 및 동의어

2-chloro-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-oneRefChem:468242838-355-628668-58-82-chloro-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone2-Chloro-1-(3,4-dihydro-2H-quinolin-1-yl)-ethanoneMFCD004617981-(Chloroacetyl)-1,2,3,4-tetrahydroquinolineethanone, 2-chloro-1-(3,4-dihydro-1(2h)-quinolinyl)-Quinoline, 1-(chloroacetyl)-1,2,3,4-tetrahydro-2-chloro-1-(1,2,3,4-tetrahydroquinolyl)ethan-1-one

이름 더 보기

AKOS BC-3095ASISCHEM C34528AKOS BBS-00005418TIMTEC-BB SBB011236IFLAB-BB F1983-0011ASINEX-REAG BAS 02927326N-Chloroacetyltetrahydroquinoline

NSC46182SCHEMBL342522CHEMBL2164317DTXSID50286493CTCLPENRFAHENT-UHFFFAOYSA-NALBB-017008NSC-46182SBB011236

데이터베이스 식별자

CAS: 28668-58-8
PubChem CID: 240137
DTXSID: DTXSID50286493
ChEMBL: CHEMBL2164317
EC Number: 838-355-6

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 219

물리화학적 성질

녹는점: 50 · 50-52 °C
끓는 점: 165 · 165-166 °C(Press: 3.5 Torr)
밀도: 1.233 · 1.233±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 0.99 · 0.99±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.