Quinoline, 1,2,3,4-tetrahydro-6-methoxy-

HCID 67113CAS 120-15-0

기본 정보

표준 SMILES: COc1ccc2c(c1)CCCN2
InChIKey: FRXSZNDVFUDTIR-UHFFFAOYSA-N
분자식: C10H13NO
평균 분자량: 163.22 g/mol
단동위원소 질량: 163.09971404

이름 및 식별자

우선 이름: Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
IUPAC: 6-methoxy-1,2,3,4-tetrahydroquinoline
영어명: 6-METHOXY-1,2,3,4-TETRAHYDROQUINOLINE
분자식: C10H13NO
분자량: 163.22

이름 및 동의어

6-Methoxy-1,2,3,4-tetrahydroquinoline120-15-0ThallinThallineQuinoline, 1,2,3,4-tetrahydro-6-methoxy-6-Methoxytetrahydroquinoline1,2,3,4-Tetrahydro-6-methoxyquinolineEA6AYU7Y78Methyl 1,2,3,4-tetrahydro-6-quinolyl etherEINECS 204-374-8NSC 49188NSC-49188

이름 더 보기

AKOS BB-9796TIMTEC-BB SBB002326SALOR-INT L308625-1EADebrisoquine Impurity 116-Methoxy-1,2,3,4-tetrahydroquinoline 99%

Quinoline l,2,3,4-tetrahydro-6-methoxyDTXSID3059505RefChem:871981DTXCID7033529204-374-86-Methoxy-1,2,3,4-tetrahydro-quinolineMFCD00090494UNII-EA6AYU7Y78

데이터베이스 식별자

CAS: 120-15-0
PubChem CID: 67113
DTXSID: DTXSID3059505
UNII: EA6AYU7Y78
EC Number: 204-374-8
Nikkaji: J5.320A

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 21.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 149

물리화학적 성질

녹는점: 37 · 37-41 °C (lit.)
끓는 점: 290.31 °C · 290.31°C (rough estimate)
밀도: 1.0508 · 1.0508 (rough estimate)
굴절률: 1.5718 · 1.5718 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 5.95 · 5.95±0.20(Predicted)
InChI: 1S/C10H13NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3
InChIKey: FRXSZNDVFUDTIR-UHFFFAOYSA-N
SMILES: COc1ccc2NCCCc2c1
EPA: 1 · Quinoline, 1,2,3,4-tetrahydro-6-methoxy- (120-15-0)

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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.