2-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)에탄민

2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-amine

HCID 40742CAS 53356-51-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCCN1CCc2ccccc2C1
InChIKey: JTEJMGHPAYJBTA-UHFFFAOYSA-N
분자식: C11H16N2
평균 분자량: 176.26 g/mol
단동위원소 질량: 176.13134851

이름 및 식별자

우선 이름: 2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-amine
IUPAC: 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
현지명: 2-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)에탄민
영어명: 2-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)ETHANAMINE
분자식: C11H16N2
분자량: 176.26

이름 및 동의어

2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-amineRefChem:450246837-778-32-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine53356-51-72-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamineMFCD017173142(1H)-ISOQUINOLINEETHYLAMINE, 3,4-DIHYDRO-2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethan-1-amine2(1H)-Isoquinolineethanamine, 3,4-dihydro-BRN 13707703,4-Dihydro-2(1H)-isoquinolineethylamine

이름 더 보기

2-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)에탄민2-(3,4-Dihydroisoquinolin-2(1H)3,4-Dihydro-2(1H)-isoquinolineethanamine2(1H)-IsoquinolineethanaMine,3,4-dihydro-2-(3,4-Dihydro-1H-isoquinolin-2-yl)ethylamine2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethylamine2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine(SALTDATA: 2HCl)

2-(1,2,3,4-Tetrahydro-2-isoquinoline)ethylamineNSC1599575-20-06-00335 (Beilstein Handbook Reference)SCHEMBL335190SCHEMBL29760081DTXSID60201516JTEJMGHPAYJBTA-UHFFFAOYSA-NALBB-005368

데이터베이스 식별자

CAS: 53356-51-7
PubChem CID: 40742
DTXSID: DTXSID60201516
EC Number: 837-778-3
Nikkaji: J86.392K

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 158

물리화학적 성질

저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, 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.