4-[[(2-아미노에틸)티오]메틸]-5-메틸이미다졸

4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole

HCID 665568

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 38585-67-0
표준 SMILES: Cc1[nH]cnc1CSCCN
InChIKey: JEOZNMMOIBLWLV-UHFFFAOYSA-N
분자식: C7H13N3S
평균 분자량: 171.27 g/mol
단동위원소 질량: 171.08301842

이름 및 식별자

우선 이름: 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole
IUPAC: 2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethanamine
현지명: 4-[[(2-아미노에틸)티오]메틸]-5-메틸이미다졸
영어명: 4-[[(2-aminoethyl)thio]methyl]-5-methylimidazole
분자식: C7H13N3S
분자량: 171.26

이름 및 동의어

38585-67-04-(((2-Aminoethyl)thio)methyl)-5-methylimidazoleEINECS 254-022-2DTXSID001919074-[[(2-aminoethyl)thio]methyl]-5-methylimidazole2-(((4-Methyl-1H-imidazol-5-yl)methyl)thio)ethanamine2-[[(4-Methyl-1H-imidazol-5-yl)methyl]thio]ethanamine2-{[(4-methyl-1H-imidazol-5-yl)methyl]thio}ethanamineRefChem:508520DTXCID00114398254-022-2Cimetidine EP Impurity J

이름 더 보기

4-[[(2-아미노에틸)티오]메틸]-5-메틸이미다졸4-[(2-Aminoethyl)thiomethyl]-5-methyl-1H-imidazole2-(((5-Methyl-1H-imidazol-4-yl)methyl)thio)ethanamineEthanamine, 2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]-2-{[(4-Methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethanamine

2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethanamine2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethan-1-amine(2-{[(4-methyl-1H-imidazol-5-yl)methyl]thio}ethyl)amine2-(((4-Methyl-1H-imidazol-5-yl)methyl)thio)ethan-1-amine2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethanamine2-((5-methyl-4-imidazolyl)methylthio)ethylamine2-[(5-methyl-4-imidazolyl)methylthio]ethylamine4-methyl-5-((2-aminoethyl)thiomethyl)-imidazole

데이터베이스 식별자

CAS: 38585-67-0
PubChem CID: 665568
DTXSID: DTXSID00191907
ChEMBL: CHEMBL1625246
EC Number: 254-022-2
Nikkaji: J313.896H

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 80 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 110

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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

응용 분야 · 1건

용도2-[[(4-Methyl-1H-imidazol-5-yl)methyl]thio]ethanamine is an intermediate in the synthesis of N-Cyano-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-carbamimidic Acid Methyl Ester (C988063), an impurity of Cimetidine (C441650). Cimetidine acts as a competitive histamine H2-receptor antagonist which inhibits gastric acid secretion and reduces pepsin output (1).