1,2,3,4-테트라하이드로퀴날딘

2-Methyl-1,2,3,4-tetrahydroquinoline

HCID 96289CAS 1780-19-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1CCc2ccccc2N1
InChIKey: JZICUKPOZUKZLL-UHFFFAOYSA-N
분자식: C10H13N
평균 분자량: 147.22 g/mol
단동위원소 질량: 147.10479942

개요

found in brains of Parkinson patients

이름 및 식별자

우선 이름: 2-Methyl-1,2,3,4-tetrahydroquinoline
IUPAC: 2-methyl-1,2,3,4-tetrahydroquinoline
현지명: 1,2,3,4-테트라하이드로퀴날딘
영어명: 1,2,3,4-TETRAHYDROQUINALDINE
분자식: C10H13N
분자량: 147.22

이름 및 동의어

1,2,3,4-Tetrahydroquinaldine1780-19-42-Methyl-1,2,3,4-tetrahydroquinolineXHV42AW48XNSC-656072-methyltetrahydroquinolineDTXSID50397311RefChem:910028DTXCID801356870217-226-2Quinoline, 1,2,3,4-tetrahydro-2-methyl-1,2,3,4-Tetrahydro-2-methylquinoline

이름 더 보기

1,2,3,4-테트라하이드로퀴날딘AKOS BB-8712AKOS BBS-00001527tetrahydro-2-methylquinoline

25448-05-9AI3-15932MFCD00023886Quinaldine, 1,2,3,4-tetrahydro-tetrahydroquinaldine1,2,3,4-Tetahydro-2-methylquinolineQuinoline, tetrahydro-2-methyl-SCHEMBL424121

데이터베이스 식별자

CAS: 1780-19-4、25448-05-9、74497-74-8
PubChem CID: 96289
DTXSID: DTXSID50397311
ChEMBL: CHEMBL589607
UNII: XHV42AW48X
EC Number: 217-226-2、246-996-2、277-887-8
Nikkaji: J46.667K

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 133

물리화학적 성질

EPA: -2 · Quinoline, tetrahydro-2-methyl- (25448-05-9)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]