CAS 31197-30-5 1-(3-Bromophenyl)piperazine (HCID 2757154)

기본 정보

CAS: 31197-30-5
표준 SMILES: Brc1cccc(N2CCNCC2)c1
InChIKey: DOYNABJKDZARLF-UHFFFAOYSA-N
분자식: C10H13BrN2
평균 분자량: 241.13 g/mol
단동위원소 질량: 240.02621052

이름 및 식별자

우선 이름: 1-(3-Bromophenyl)piperazine
IUPAC: 1-(3-bromophenyl)piperazine
현지명: 1-(3-브로모페닐)피페라진
영어명: 1-(3-Bromophenyl)piperazine
분자식: C10H13BrN2
분자량: 241.13

이름 및 동의어

1-(3-Bromophenyl)piperazine31197-30-5DTXSID40953283RefChem:224229DTXCID7013813371-(3-bromophenyl)-piperazineMFCD034121231-(3-Bromo-phenyl)-piperazinePiperazine, 1-(3-bromophenyl)-N-3-BromophenylpiperazinePS8X2MU5NW1-(m-Bromophenyl)piperazine

이름 더 보기

1-(3-브로모페닐)피페라진Trazodone Impurity 29(3''-BROMOPHENYL)PIPERAZINE1-(3-bromophenenyl)piperazineTrazodone impurity QZT-IM-3-Z21-(3-Bromophenyl)piperazine, 97%alpha-Chloro-2-chlorophenylacetic acid1-(3-Bromophenyl)piperazine - [B92977](3′-Bromophenyl)piperazine, CAS 31197-30-5

4-(3-bromophenyl)piperazineN-(3-bromophenyl)-piperazineSCHEMBL6894221-(3-bromo phenyl)piperazine1-(3-bromophenyl) piperazineSCHEMBL4750843SCHEMBL15475075Piperazine, 1-(m-bromophenyl)-

데이터베이스 식별자

CAS: 31197-30-5
PubChem CID: 2757154
DTXSID: DTXSID40953283
UNII: PS8X2MU5NW
EC Number: 673-029-5

물성

구조 계산 물성

XLogP: 1.8
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: 157

물리화학적 성질

끓는 점: 121 · 121-123°C/0.5mm
밀도: 1.386 · 1.386±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 8.92 · 8.92±0.10(Predicted)
물리적 상태: solid
InChI: 1S/C10H13BrN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKey: DOYNABJKDZARLF-UHFFFAOYSA-N
SMILES: Brc1cccc(c1)N2CCNCC2

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, 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.