1-(4-아미노페닐)-4-(4-메톡시페닐)피페라진

Benzenamine, 4-(4-(4-methoxyphenyl)-1-piperazinyl)-

HCID 154406CAS 74852-62-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1
InChIKey: VXEGSRKPIUDPQT-UHFFFAOYSA-N
분자식: C17H21N3O
평균 분자량: 283.37 g/mol
단동위원소 질량: 283.16846229

이름 및 식별자

우선 이름: Benzenamine, 4-(4-(4-methoxyphenyl)-1-piperazinyl)-
IUPAC: 4-[4-(4-methoxyphenyl)piperazin-1-yl]aniline
현지명: 1-(4-아미노페닐)-4-(4-메톡시페닐)피페라진
영어명: 1-(4-Aminophenyl)-4-(4-methoxyphenyl)piperazine
분자식: C17H21N3O
분자량: 283.37

이름 및 동의어

74852-62-31-(4-Aminophenyl)-4-(4-methoxyphenyl)piperazine4-(4-(4-Methoxyphenyl)piperazin-1-yl)aniline4-[4-(4-methoxyphenyl)piperazin-1-yl]anilineBenzenamine, 4-(4-(4-methoxyphenyl)-1-piperazinyl)-4-(4-(4-Methoxyphenyl)-1-piperazinyl)benzenamine4-[4-(4-methoxyphenyl)-1-piperazinyl]benzenamineDTXSID00225817Benzenamine, 4-[4-(4-methoxyphenyl)-1-piperazinyl]-RefChem:561854DTXCID30148308616-146-9

이름 더 보기

1-(4-아미노페닐)-4-(4-메톡시페닐)피페라진AKOS B033041Compound PDK03564-(4-(4-Methoxyphenyl)Itraconazole Impurity 25Posaconazole Impurity 1081-(4-METHOXYPHEAYL)-4-(4-AMINOPHENYL)PIPERAZINE1-(4-METHOXYPHEAYL)-4-(4-AMINOPHENGL)PIPERAZINE

800-112-7MFCD020714964-[4-(4-METHYLOXY-PHENYL)-PIPERAZIN-1-YL]-PHENYLAMINEItraconazole Methoxy Amino Impurity1-(4-methoxyphenyl)-4-(4-aminophenyl)piperazine4-[4-(4-methoxyphenyl)-1-piperazinyl]aniline1-(4-Methoxyphenyl)-4-(4-aminophenyl)piperazine;4-(4-(4-methoxyphenyl)piperazin-1-yl)aniline49FH2V7SBG

데이터베이스 식별자

CAS: 74852-62-3
PubChem CID: 154406
DTXSID: DTXSID00225817
UNII: 49FH2V7SBG
EC Number: 616-146-9

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 41.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 301

물리화학적 성질

녹는점: 186 °C · 186 °C
끓는 점: 506.7 · 506.7±50.0 °C(Predicted)
밀도: 1.165 · 1.165±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간), 디클로로메탄(약간)에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 7.69 · 7.69±0.10(Predicted)
색상: 진한 보라색에서 진한 회색까지
InChI: InChI=1S/C17H21N3O/c1-21-17-8-6-16(7-9-17)20-12-10-19(11-13-20)15-4-2-14(18)3-5-15/h2-9H,10-13,18H2,1H3
InChIKey: VXEGSRKPIUDPQT-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(N2CCN(C3=CC=C(OC)C=C3)CC2)C=C1

화학적 성질

Purple Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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.