1,2,3,4-테트라히드로이소퀴놀린

1,2,3,4-Tetrahydroisoquinoline

HCID 7046CAS 14099-81-1

부분 구조 검색 유사 구조 찾기

기본 정보

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 물성

XLogP: 1.6
극성 표면적: 12 Å²
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 · 2건

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

GHS 분류

GHS Classification · 4건

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 · 1건

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
risk_code: 36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 36/37/39-26-37/39