1-(4-Bromophenyl)piperazine hydrochloride

HCID 14422838

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 68104-62-1
표준 SMILES: Brc1ccc(N2CCNCC2)cc1.Cl
InChIKey: YDVSFRZKQMQPJD-UHFFFAOYSA-N
분자식: C10H14BrClN2
평균 분자량: 277.59 g/mol
단동위원소 질량: 276.00288823

이름 및 식별자

우선 이름: 1-(4-Bromophenyl)piperazine hydrochloride
IUPAC: 1-(4-bromophenyl)piperazine;hydrochloride
영어명: 1-(4-Bromophenyl)piperazine hydrochloride
분자식: C10H14BrClN2
분자량: 277.59

이름 및 동의어

1-(4-Bromophenyl)piperazine hydrochloride68104-62-14-Bpp hydrochlorideSV3HBJ3FXGPiperazine, 1-(4-bromophenyl)-, monohydrochloridePiperazine, 1-(4-bromophenyl)-, hydrochloride (1:1)RefChem:425080671-049-91-(4-bromophenyl)piperazine hclMFCD006741341-(4-bromophenyl)piperazine;hydrochloride1-(4-bromophenyl)-piperazine hcl

이름 더 보기

RARECHEM AH CK 00501-(4-Bromophenyl)piperazin HCl1-(4-Bromophenyl)-piperazine x HCl1-(4-Bromophenyl)piperazineHydrochloride>1-(4-Bromophenyl)piperazine hydrochloride 98%1-(4-BROMOPHENYL)PIPERAZINE HYDROCHLORIDE ISO 9001：2015 REACH

UNII-SV3HBJ3FXG1-(4-Bromophenyl)piperazine (hydrochloride)SCHEMBL1200034DTXSID20560116YDVSFRZKQMQPJD-UHFFFAOYSA-N4-bromophenylpiperazine hydrochlorideAKOS015919989AC-3015

데이터베이스 식별자

CAS: 68104-62-1
PubChem CID: 14422838
DTXSID: DTXSID20560116
UNII: SV3HBJ3FXG
EC Number: 671-049-9

물성

구조 계산 물성

극성 표면적: 15.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 149

물리화학적 성질

녹는점: 280 °C · >280°C (dec.)
저장 조건: Inert atmosphere,Room Temperature
수용성: 물에 용해됨
용해도: 10 mg/ml; · DMSO: 10 mg/ml; PBS (pH 7.2): 10 mg/ml
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C10H13BrN2.ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
InChIKey: YDVSFRZKQMQPJD-UHFFFAOYSA-N
SMILES: C1(C=CC(Br)=CC=1)N1CCNCC1.Cl

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, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

HS 번호: 2933.59.8000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

개요1-(4-Bromophenyl)piperazine hydrochloride is an important organic synthetic intermediate, playing a crucial role, especially in medicinal chemistry. It is not typically used as a final product, but rather introduced as a structural unit (i.e., a "building block") into more complex molecules to construct drug molecules with specific biological activities. The "p-bromophenyl" and "piperazine ring" contained in its structure are common pharmacophores in many central nervous system drugs, such as antipsychotics and antidepressants.