기본 정보
- 표준 SMILES
c1cnc(N2CCNCC2)nc1- InChIKey
MRBFGEHILMYPTF-UHFFFAOYSA-N- 분자식
- C8H12N4
- 평균 분자량
- 164.21 g/mol
- 단동위원소 질량
- 164.10619638
개요
1-(2-Pyrimidyl)piperazine is a N-arylpiperazine.
이름 및 식별자
- 우선 이름
- 1-(2-Pyrimidinyl)piperazine
- IUPAC
- 2-piperazin-1-ylpyrimidine
- 현지명
- 2-(1-피페라지닐)피리미딘
- 영어명
- 2-(1-Piperazinyl)pyrimidine
- 분자식
- C8H12N4
- 분자량
- 164.21
이름 및 동의어
20980-22-72-(Piperazin-1-yl)pyrimidine1-(2-Pyrimidinyl)piperazinePyrimidine, 2-(1-piperazinyl)-1-pyrimidinylpiperazineH3B5B38F56DTXSID00864967MJ-13653RefChem:422655DTXCID80208042244-135-52-(1-Piperazinyl)pyrimidine
이름 더 보기
2-(1-피페라지닐)피리미딘n-(2-pyrimidinyl)piperazinePMPRZmj13653GOSO-003BUSPIRON?AAKOS BBS-00003690TIMTEC-BB SBB003913
1-(2-Pyrimidyl)piperazine2-piperazin-1-ylpyrimidineBuspirone EP Impurity A2-Piperazino-pyrimidineMFCD000407422-piperazin-1-yl-pyrimidine1-PPpyrimidinylpiperazine
데이터베이스 식별자
- CAS
125523-53-7、20980-22-7- PubChem CID
- 88747
- DTXSID
DTXSID00864967- ChEMBL
CHEMBL724- ChEBI
CHEBI:166562- UNII
- H3B5B38F56
- EC Number
- 244-135-5
- Nikkaji
- J22.906G
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 41.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 127
실험 및 물리화학적 성질
LogP0.49
Dissociation Constants8.9
물리화학적 성질
- 녹는점
- 32 · 32-34°C
- 끓는 점
- 277 °C · 277 °C (lit.)
- 밀도
- 1.158 g/mL · 1.158 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.587(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 녹은 후에 액체
- 산도 계수 (pKa)
- 8.68 · 8.68±0.10(Predicted)
- 색상
- 맑은 노란색
- 수용성
- 거의 투명함
- BRN
- 151178 · 151178
- InChI
- 1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2
- InChIKey
- MRBFGEHILMYPTF-UHFFFAOYSA-N
- SMILES
- C1CN(CCN1)c2ncccn2
화학적 성질
clear yellow liquid after melting
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (31.3%): 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 67 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 20-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/18266
Hazard Classes and CategoriesSkin Corr. 1B (31.3%)
안전 데이터
- wgk
- 3
- tsca
- Yes
- rtecs
- UV9702000
- HS 번호
- 29335990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- 위험 등급
- 8
- 기존화학 물질
- KE-29963
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Metabolism/Metabolites2-(1-piperazinyl)pyrimidine has known human metabolites that include 2-(Piperazin-1-yl)pyrimidin-5-ol.
MeSH Pharmacological Classification
Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.
Tissue LocationsKidney
Cellular LocationsCytoplasm
응용 분야
일반 설명1-(2-Pyrimidyl)piperazine is a piperazine-based derivative. It is a metabolite of buspirone.
상·하류 제품 정보
상류 원료
하류 제품
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
관련 반응
306건
연결된 노트
불러오는 중…