1,2,3,4-Tetrahydroisoquinoline
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기본 정보
- CAS
14099-81-1- 표준 SMILES
c1ccc2c(c1)CCNC2- InChIKey
UWYZHKAOTLEWKK-UHFFFAOYSA-N- 분자식
- C9H11N
- 평균 분자량
- 133.19 g/mol
- 단동위원소 질량
- 133.08914935
개요
1,2,3,4-tetrahydroisoquinoline is a member of isoquinolines.
이름 및 식별자
- 우선 이름
- 1,2,3,4-Tetrahydroisoquinoline
- IUPAC
- 1,2,3,4-tetrahydroisoquinoline
- 영어명
- 1,2,3,4-Tetrahydroisoquinoline hydrochloride
- 분자식
- C9H12ClN
- 분자량
- 169.65
이름 및 동의어
1,2,3,4-Tetrahydroisoquinoline91-21-4Tetrahydroisoquinoline1,2,3,4-Tetrahydro-isoquinolineISOQUINOLINE, 1,2,3,4-TETRAHYDRO-3,4-dihydro-1H-isoquinoline1,2,3,4-Tetrahydro-2-azanaphthaleneDTXSID602611556W89FBX3ENSC-15312DTXCID106115RefChem:71317
이름 더 보기
Compound Fr16648TIMTEC-BB SBB0038601,2,3,4-Tetrahydroisoquinoline HCl3,5-dimethyl-2-(1-pyrrolyl)pyrazine1,2,3,4-tetrahydro-isoquinolinhydrochloride1,2,3,4-Tetrahydroisoquinoline hydrochlorideIsoquinoline, 1,2,3,4-tetrahydro-, hydrochloride1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE 98+%1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE ISO 9001：2015 REACH
202-050-0MFCD000068961,2,3,4-Tetrahydro isoquinoline1,2,3,4-Tetrahydro-2-isoquinolineCHEMBL14346tetrahydro-isoquinoline1,2,3,4-Tetrahydro-2-azanaphthalene; 1,2,3,4-Tetrahydro-2-isoquinoline; 1,2,3,4-Tetrahydroisoquinoline; 3,4-Dihydro-1H-isoquinoline; NSC 15312;2CK
데이터베이스 식별자
- CAS
14099-81-1、91-21-4- PubChem CID
- 7046
- DTXSID
DTXSID6026115- ChEMBL
CHEMBL14346- ChEBI
CHEBI:125498- UNII
- 56W89FBX3E
- EC Number
- 202-050-0
- Nikkaji
- J4.337K
물성
구조 계산 물성보충 중
- XLogP
- 1.6
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 111
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Quinolines
SpringerMaterials PropertiesChemical shift
Melting Point< -15 °C
Physical Description
Clear brown liquid with an unpleasant odor; [Acros Organics MSDS]
Liquid
물리화학적 성질
- 녹는점
- 198 · 198-202 °C
- 저장 조건
- Sealed in dry,Room Temperature
- 수용성
- 거의 투명함
화학적 성질
white to off-white crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (69.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 154 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Cease Manufacture Update: 21-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10824
Hazards Summary
Causes other degenerative changes to brain and coverings and effects on peptidases in acute intraperitoneal studies of rats; [RTECS] Causes burns; Toxic by ingestion; Harmful by inhalation; Highly toxic by skin absorption; May cause brain damage; [ECHA REACH Registrations] An irritant; [Acros Organics MSDS] See 5,6,7,8-Tetrahydroquinoline.
Hazard Classes and CategoriesAcute Tox. 3 (69.5%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
- rtecs
- NX5075000
- 독성
- mouse,LD50,intraperitoneal,303mg/kg (303mg/kg),Journal of Medicinal Chemistry. Vol. 18, Pg. 1194, 1975.
- HS 번호
- 29334990
화학 및 산업
용도 및 제조
UsesUsed as an intermediate; [ECHA REACH Registrations]
General Manufacturing InformationIsoquinoline, 1,2,3,4-tetrahydro-: ACTIVE
관련 반응
563건
화합물 노트
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