1-(2-메틸프로파노일)-피페라진

2-Methyl-1-(piperazin-1-yl)propan-1-one

HCID 2761409CAS 71260-16-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)C(=O)N1CCNCC1
InChIKey: JPULDXYXDMNTNT-UHFFFAOYSA-N
분자식: C8H16N2O
평균 분자량: 156.23 g/mol
단동위원소 질량: 156.12626313

이름 및 식별자

우선 이름: 2-Methyl-1-(piperazin-1-yl)propan-1-one
IUPAC: 2-methyl-1-piperazin-1-ylpropan-1-one
현지명: 1-(2-메틸프로파노일)-피페라진
영어명: 1-(2-METHYLPROPANOYL)-PIPERAZINE
분자식: C8H16N2O
분자량: 156.23

이름 및 동의어

2-methyl-1-(piperazin-1-yl)propan-1-oneRefChem:474874674-522-871260-16-71-(2-Methylpropanoyl)-piperazine1-(2-methylpropanoyl)piperazine2-methyl-1-piperazin-1-ylpropan-1-oneMFCD049733441-Propanone,2-methyl-1-(1-piperazinyl)-1-isobutyrylpiperazinePiperazine, 1-(2-methyl-1-oxopropyl)-2-methyl-1-piperazin-1-yl-propan-1-one

이름 더 보기

1-(2-메틸프로파노일)-피페라진2-Methyl-1-(piperazin-1-yl)propan-1-one hydrochlorideOlaparib Impurity 631-isobutanoylpiperazine1-ISOBUTYRYLPIPERAZINE HYDROCHLORIDE

2-Methyl-1-(1-piperazinyl)-1-propanone1-(2-methylpropionyl)piperazineAKOS000117362CS-0124433isobutyryl-piperazineFT-06945291-(2-methylpropionyl)pipeSCHEMBL187976

데이터베이스 식별자

CAS: 71260-16-7
PubChem CID: 2761409
DTXSID: DTXSID50375755
EC Number: 674-522-8

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

물리화학적 성질

끓는 점: 78 °C · 78 °C
밀도: 0.987 · 0.987±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 8.37 · 8.37±0.10(Predicted)

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.