1-(3,5-DIMETHOXYPHENYL)피페라진

1-(3,5-Dimethoxyphenyl)piperazine

HCID 2736205CAS 53557-93-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(OC)cc(N2CCNCC2)c1
InChIKey: COWMQOCYJSUFSB-UHFFFAOYSA-N
분자식: C12H18N2O2
평균 분자량: 222.28 g/mol
단동위원소 질량: 222.13682782

이름 및 식별자

우선 이름: 1-(3,5-Dimethoxyphenyl)piperazine
IUPAC: 1-(3,5-dimethoxyphenyl)piperazine
현지명: 1-(3,5-DIMETHOXYPHENYL)피페라진
영어명: 1-(3,5-Dimethoxyphenyl)piperazine
분자식: C12H18N2O2
분자량: 222.28

이름 및 동의어

1-(3,5-dimethoxyphenyl)piperazine53557-93-0DTXSID00371202RefChem:224080DTXCID20322236673-697-81-(3,5-Dimethoxyphenyl)-piperazine1-(3,5-dimethoxy-phenyl)piperazineMFCD000407641-(3,5-Dimethoxy-phenyl)-piperazinePiperazine,1-(3,5-dimethoxyphenyl)-Oprea1_352805

이름 더 보기

1-(3,5-DIMETHOXYPHENYL)피페라진4-(3,5-Dimethoxyphenyl)piperazinePiperazine, 1-(3,5-dimethoxyphenyl)-1-(3,5-Dimethoxyphenyl)piperazine 96%

SCHEMBL4435213,5-dimethoxyphenyl piperazineSCHEMBL3197670(3,5-dimethoxyphenyl)piperazineCHEMBL2335163COWMQOCYJSUFSB-UHFFFAOYSA-N1-(3,5-dimetoxyphenyl)piperazine1-(3,5-di methoxyphenyl)piperazine

데이터베이스 식별자

CAS: 53557-93-0
PubChem CID: 2736205
DTXSID: DTXSID00371202
ChEMBL: CHEMBL2335163
EC Number: 673-697-8

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 33.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 195

물리화학적 성질

끓는 점: 147 · 147-150°C 1mm
밀도: 1.08 · 1.080
산도 계수 (pKa): 8.91 · 8.91±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.