7-메톡시-1,2,3,4-테트라히드로-이소퀴놀린

7-Methoxy-1,2,3,4-Tetrahydroisoquinoline

HCID 417288CAS 43207-78-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc2c(c1)CNCC2
InChIKey: BPSLFSXCUJYFIR-UHFFFAOYSA-N
분자식: C10H13NO
평균 분자량: 163.22 g/mol
단동위원소 질량: 163.09971404

개요

1,2,3,4-Tetrahydro-7-methoxyisoquinoline has been reported in Pachycereus weberi with data available.

이름 및 식별자

우선 이름: 7-Methoxy-1,2,3,4-Tetrahydroisoquinoline
IUPAC: 7-methoxy-1,2,3,4-tetrahydroisoquinoline
현지명: 7-메톡시-1,2,3,4-테트라히드로-이소퀴놀린
영어명: 7-Methoxy-1,2,3,4-tetrahydro-isoquinoline
분자식: C10H13NO
분자량: 163.22

이름 및 동의어

7-methoxy-1,2,3,4-tetrahydroisoquinoline43207-78-9DTXSID50329096RefChem:106270DTXCID30204135824-626-61,2,3,4-Tetrahydro-7-methoxyisoquinoline7-Methoxy-1,2,3,4-tetrahydro-isoquinolineMFCD01444683ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-7-METHOXY-CHEMBL266407-Methoxy-1,2,3,4-tetrahydro-isoquinoline 1HCl salt

이름 더 보기

7-메톡시-1,2,3,4-테트라히드로-이소퀴놀린m901054-tetrahydro-7-Methoxyisoquinoline hydrochloride1,2,3,4-tetrahydro-7-methoxyisoquinoline hydrochloride

NCIOpen2_001373SCHEMBL444147SCHEMBL746109AKOS BB-9298SCHEMBL295584427-methoxy-tetrahydro-isoquinolineBPSLFSXCUJYFIR-UHFFFAOYSA-NBDBM50024840

데이터베이스 식별자

CAS: 43207-78-9
PubChem CID: 417288
DTXSID: DTXSID50329096
ChEMBL: CHEMBL26640
EC Number: 824-626-6
Nikkaji: J708.186C

물성

구조 계산 물성

XLogP: 1.3
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: 190 °C · 190 °C
끓는 점: 184 · 184-186 °C(Press: 50 Torr)
밀도: 1.044 · 1.044±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 9.73 · 9.73±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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.