1-(3,4,5-트리메톡시-벤질)-피페라진디염산염

1-[(3,4,5-Trimethoxyphenyl)methyl]piperazine;dihydrochloride

HCID 12828501

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 107049-57-0
표준 SMILES: COc1cc(CN2CCNCC2)cc(OC)c1OC.Cl.Cl
InChIKey: XIRALXKCBGTYSC-UHFFFAOYSA-N
분자식: C14H24Cl2N2O3
평균 분자량: 339.3 g/mol
단동위원소 질량: 338.116398

이름 및 식별자

우선 이름: 1-[(3,4,5-Trimethoxyphenyl)methyl]piperazine;dihydrochloride
IUPAC: 1-[(3,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride
현지명: 1-(3,4,5-트리메톡시-벤질)-피페라진디염산염
영어명: 1-(3,4,5-Trimethoxy-benzyl)-piperazinedihydrochloride
분자식: C14H24Cl2N2O3
분자량: 339.25796

이름 및 동의어

107049-57-01-[(3,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride1-((3,4,5-trimethoxyphenyl)methyl)piperazine;dihydrochlorideRefChem:418419642-164-11-(3,4,5-trimethoxybenzyl)piperazine dihydrochloride1-(3,4,5-trimethoxy-benzyl)-piperazine dihydrochlorideTrimetazidine Impurity A1-(3,4,5-Trimethoxy-benzyl)-piperazinedihydrochlorideSCHEMBL4811662XIRALXKCBGTYSC-UHFFFAOYSA-NTrimetazidine EP Impurity A DiHCl

이름 더 보기

1-(3,4,5-트리메톡시-벤질)-피페라진디염산염Trimetazidine Impurity 3trimetazidine impurity11371-(3,4,5-Trimethoxybenzyl)piperazinTrimetazidine Dihydrochloride Impurity A as Dihydrochloride1-[(3,4,5-trimethoxyphenyl)methyl]piperazine:dihydrochlorideTrimetazidine Dihydrochloride EP Impurity A as DihydrochlorideTrimTrimetazidine Dihydrochloride EP Impurity A as Dihydrochlorideetazidine Trimetazidine Dihydrochloride EP Impurity A as DihydrochlorideEP Impurity A as Dihydrochloride

AKOS015845357IT145544G813701(3,4,5-trimethoxybenzyl)piperazine dihydrochloride1-(3,4,5trimethoxybenzyl)piperazine dihydrochloride1-(3,4,5-trimethyoxybenzyl)piperazine dihydrochlorideN1-(3,4,5-trimethoxybenzyl)piperazine dihydrochlorideTrimetazidine Dihydrochloride Imp. A (EP); Trimetazidine Imp. A (EP); 1-(3,4,5-Trimethoxybenzyl)piperazine Dihydrochloride; Trimetazidine Dihydrochloride Imp. A (EP) as Dihydrochloride; Trimetazidine Dihydrochloride Impurity A as Dihydrochloride; Trimetazidine Impurity A as Dihydrochloride

데이터베이스 식별자

CAS: 107049-57-0
PubChem CID: 12828501
EC Number: 642-164-1

물성

구조 계산 물성

극성 표면적: 43 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 21
형식 전하: 0
복잡도: 245

물리화학적 성질

InChI: InChI=1S/C14H22N2O3.2ClH/c1-17-12-8-11(9-13(18-2)14(12)19-3)10-16-6-4-15-5-7-16;;/h8-9,15H,4-7,10H2,1-3H3;2*1H
InChIKey: XIRALXKCBGTYSC-UHFFFAOYSA-N
SMILES: N1(CC2=CC(OC)=C(OC)C(OC)=C2)CCNCC1.[H]Cl.[H]Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.