1-(4-브로모펜일)피페라진

1-(4-Bromophenyl)piperazine

HCID 2735629

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 66698-28-0
표준 SMILES: Brc1ccc(N2CCNCC2)cc1
InChIKey: PJHPFAFEJNBIDC-UHFFFAOYSA-N
분자식: C10H13BrN2
평균 분자량: 241.13 g/mol
단동위원소 질량: 240.02621052

이름 및 식별자

우선 이름: 1-(4-Bromophenyl)piperazine
IUPAC: 1-(4-bromophenyl)piperazine
현지명: 1-(4-브로모펜일)피페라진
영어명: 1-(4-Bromophenyl)piperazine
분자식: C10H13BrN2
분자량: 241.13

이름 및 동의어

1-(4-bromophenyl)piperazine66698-28-0Piperazine, 1-(4-bromophenyl)-4-BppRX2Y9C2G6XN-(4-Bromophenyl)piperazine1-(Para-bromophenyl)piperazineDTXSID50370841RefChem:74431DTXCID70321875663-248-4MFCD00130198

이름 더 보기

1-(4-브로모펜일)피페라진KML-30CML-0271-(4-Bromophenyl)1-(4-Bromophenyl)piperazine - [B93256]1-(4-BROMO-PHENYL)-PIPERAZINE DIHYDROCHLORIDE

PBPP1-(4-bromophenyl)-piperazine4-bromophenylpiperazineUNII-RX2Y9C2G6X4-(4-bromophenyl)piperazineOprea1_814607SCHEMBL15942SCHEMBL3183333

데이터베이스 식별자

CAS: 66698-28-0
PubChem CID: 2735629
DTXSID: DTXSID50370841
UNII: RX2Y9C2G6X
EC Number: 663-248-4
Nikkaji: J1.509.774D

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 149

물리화학적 성질

녹는점: 91 · 91-95 °C
끓는 점: 353.3 · 353.3±27.0 °C(Predicted)
밀도: 1.386 · 1.386±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
산도 계수 (pKa): 8.88 · 8.88±0.10(Predicted)
InChI: InChI=1S/C10H13BrN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey: PJHPFAFEJNBIDC-UHFFFAOYSA-N
SMILES: N1(C2=CC=C(Br)C=C2)CCNCC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 1
risk_code: 20/21/22
hazard_code: Xi,Xn
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

개요1-(4-Bromophenyl)piperazine (street names: 4-bromo-piperein, 4-BP, brein) is structurally related to 1-(4-fluorophenyl)piperazine and to 1-(4-chlorophenyl)piperazine. The only difference is the halogen substituent type attached to the phenyl ring's para-position. In the case of NPSs from the methcathinone group, which are also neurotransmitter releasers, structure–activity studies demonstrated that the replacement of a fluorine or chlorine atom with a bromine atom resulted in a compound with more potency for the release of both dopamine and serotonin. The lowest dopamine selectivity, an additional consequence of these halogen replacements, results in lower abuse potential in favor of empathogenic properties[1].