이소퀴놀린,5-브로모-1,2,3,4-테트라히드로-,염산염

5-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride

HCID 45074003

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 923591-51-9
표준 SMILES: Brc1cccc2c1CCNC2.Cl
InChIKey: SBMVDLGSHBOIOK-UHFFFAOYSA-N
분자식: C9H11BrClN
평균 분자량: 248.55 g/mol
단동위원소 질량: 246.97633913

이름 및 식별자

우선 이름: 5-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride
IUPAC: 5-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
현지명: 이소퀴놀린,5-브로모-1,2,3,4-테트라히드로-,염산염
영어명: Isoquinoline, 5-bromo-1,2,3,4-tetrahydro-, hydrochloride
분자식: C9H11BrClN
분자량: 248.55

이름 및 동의어

5-bromo-1,2,3,4-tetrahydroisoquinoline hydrochlorideRefChem:532651676-394-9923591-51-95-bromo-1,2,3,4-tetrahydro-isoquinoline hclMFCD058615505-Bromo-1,2,3,4-tetrahydro-isoquinoline hydrochloride5-bromo-1,2,3,4-tetrahydroisoquinoline hcl5-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride5-bromo-1,2,3,4-tetrahydroisoquinoline,hydrochlorideSCHEMBL1922572SCHEMBL30955066

이름 더 보기

이소퀴놀린,5-브로모-1,2,3,4-테트라히드로-,염산염5-BroMo-1,2,3,4-tetrahdyroisoquinoline hydrochlorideIsoquinoline, 5-bromo-1,2,3,4-tetrahydro-, hydrochloride5-bromo-1,2,3,4-tetrahydro-Isoquinoline hydrochloride (1:1)Isoquinoline, 5-bromo-1,2,3,4-tetrahydro-, hydrochloride (1:1)

DTXSID10662875SBMVDLGSHBOIOK-UHFFFAOYSA-NAKOS015958982CS-W022295SB204525-bromo-1,2,3,4-tetrahydroisoquinoliAS-19412DA-00790

데이터베이스 식별자

CAS: 923591-51-9
PubChem CID: 45074003
DTXSID: DTXSID10662875
EC Number: 676-394-9

물성

구조 계산 물성

극성 표면적: 12 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 138

물리화학적 성질

저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 가루
색상: 연노랑
InChI: InChI=1S/C9H10BrN.ClH/c10-9-3-1-2-7-6-11-5-4-8(7)9;/h1-3,11H,4-6H2;1H
InChIKey: SBMVDLGSHBOIOK-UHFFFAOYSA-N
SMILES: BrC1C=CC=C2CNCCC=12.Cl

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.