6,7-다이메톡시-1,2,3,4-테트라히드로이소퀴놀린

6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline

HCID 15623CAS 1745-07-9

기본 정보

표준 SMILES: COc1cc2c(cc1OC)CNCC2
InChIKey: CEIXWJHURKEBMQ-UHFFFAOYSA-N
분자식: C11H15NO2
평균 분자량: 193.24 g/mol
단동위원소 질량: 193.11027872

개요

Heliamine is an isoquinoline that is 1,2,3,4-tetrahydroisoquinoline substituted by methoxy groups at positions 6 and 7. It has a role as a plant metabolite. It is an isoquinoline alkaloid, a member of isoquinolines, an aromatic ether and a diether. It is functionally related to a norsalsolinol. It is a conjugate base of a heliamine(1+).

이름 및 식별자

우선 이름: 6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline
IUPAC: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
현지명: 6,7-다이메톡시-1,2,3,4-테트라히드로이소퀴놀린
영어명: 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline
분자식: C11H15NO2
분자량: 193.24

이름 및 동의어

6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-9Heliamine1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinolineDTXSID70169835RefChem:145459DTXCID0092326814-740-4ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-MFCD007778496,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolineBRN 0158809

이름 더 보기

6,7-다이메톡시-1,2,3,4-테트라히드로이소퀴놀린AKOS 236-89AKOS BC-0705AKOS BBS-00006335TIMTEC-BB SBB0055511H-Inden-1-amine, 2,3-dihydro-, (R)-6,7-Dimethoxy-1,2,3,4-tertahydroisoquinoline1,2,3,4-tetrahydro-6,7-dimethoxy-isoquinolin

CHEMBL12367CHEBI:5637F2167-0008Oprea1_7196095-21-04-00478 (Beilstein Handbook Reference)SCHEMBL329913SCHEMBL443555orb3027245

데이터베이스 식별자

CAS: 1745-07-9
PubChem CID: 15623
DTXSID: DTXSID70169835
ChEMBL: CHEMBL12367
ChEBI: CHEBI:5637
EC Number: 814-740-4
Nikkaji: J263.656E

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 30.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 186

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 262 °C · 262 °C
끓는 점: 175 °C · 175 °C(Press: 10 Torr)
밀도: 1.071 · 1.071±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 9.01 · 9.01±0.20(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChI: InChI=1S/C11H15NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-6,12H,3-4,7H2,1-2H3
InChIKey: CEIXWJHURKEBMQ-UHFFFAOYSA-N
SMILES: C1C2=C(C=C(OC)C(OC)=C2)CCN1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
독성: mouse,LDLo,subcutaneous,180mg/kg (180mg/kg),AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC,"Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 244, 1948.
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

출처A simple isoquinoline alkaloid, heliamine has been isolated from Pachycereus pectenaboriginum.

용도6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline is a useful reactant in organic reactions and synthesis.

상·하류 제품 정보

하류 제품

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

불러오는 중…