1-(2-피리딜)피페라진

1-(2-Pyridyl)piperazine

HCID 94459CAS 34803-66-2

기본 정보

표준 SMILES: c1ccc(N2CCNCC2)nc1
InChIKey: GZRKXKUVVPSREJ-UHFFFAOYSA-N
분자식: C9H13N3
평균 분자량: 163.22 g/mol
단동위원소 질량: 163.11094742

개요

Stibavirin is a member of the class of cinnamic acids that is trans-cinnamic acid substituted by a dihydroxy(oxo)-5-stibanyl group at position 3 of the phenyl ring. It has a role as an anti-HIV-1 agent. It is a member of cinnamic acids and an antimony oxoacid.

이름 및 식별자

우선 이름: 1-(2-Pyridyl)piperazine
IUPAC: 1-pyridin-2-ylpiperazine
현지명: 1-(2-피리딜)피페라진
영어명: 1-(2-Pyridyl)piperazine
분자식: C9H13N3
분자량: 163.22

이름 및 동의어

1-(2-Pyridyl)piperazine34803-66-21-(2-Pyridinyl)piperazine5IO1HZP7ZNNSC-137781DTXSID90188341NSC-26624RefChem:74210DTXCID20110832252-220-31-(pyridin-2-yl)piperazine1-Pyridin-2-yl-piperazine

이름 더 보기

1-(2-피리딜)피페라진NSC13778NSC 26624NSC 137781AKOS BBS-00003613BUTTPARK 82\08-03RARECHEM AH CK 0193TIMTEC-BB SBB0064452-pyridyl piperazineLABOTEST-BB LTBB000605

1-pyridin-2-ylpiperazine2-PiperazinopyridinePiperazine, 1-(2-pyridinyl)-2-pyridylpiperazineMFCD000062162-(1-Piperazinyl)pyridine2-(Piperazin-1-yl)pyridineN-(2-pyridyl)piperazine

데이터베이스 식별자

CAS: 34803-66-2
PubChem CID: 94459
DTXSID: DTXSID90188341
ChEMBL: CHEMBL18094
ChEBI: CHEBI:231728
UNII: 5IO1HZP7ZN
EC Number: 252-220-3
Nikkaji: J208.913K

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 28.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 132

실험 및 물리화학적 성질

LogP0.74

Dissociation Constants8.9

물리화학적 성질

녹는점: 92 · 92-94
끓는 점: 120 · 120-122 °C/2 mmHg (lit.)
밀도: 1.072 g/mL · 1.072 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.595(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름, 메탄올에 용해됩니다.
물리적 상태: 액체
산도 계수 (pKa): 8.63 · 8.63±0.10(Predicted)
색상: 무색~황색으로 투명함
수용성: 500 g/L · >500g/L(20℃)
BRN: 140423 · 140423
InChI: 1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2
InChIKey: GZRKXKUVVPSREJ-UHFFFAOYSA-N
SMILES: C1CN(CCN1)c2ccccn2
NIST: 1 · 1-(2-Pyridyl)piperazine(34803-66-2)

화학적 성질

clear colourless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (13.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (13.7%)

안전 데이터

wgk: 3
ridadr: 2735
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: II
위험 등급: 8
F 고인화성물질: 10-34
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도1-(2-Pyridyl)piperazine is a compound that belongs to a class of selective α2-adrenoceptor antagonists. 1-(2-Pyridyl)piperazine shows sympatholytic activity. 1-(2-Pyridyl)piperazine is also a metaboli te of Azaperone (A802200).

일반 설명1-(2-Pyridyl)piperazine is a piperazine derivative.