1-(Cyclopropylcarbonyl)piperazine

HCID 2064235

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59878-57-8
표준 SMILES: O=C(C1CC1)N1CCNCC1
InChIKey: KIALFUYSJAAJSU-UHFFFAOYSA-N
분자식: C8H14N2O
평균 분자량: 154.21 g/mol
단동위원소 질량: 154.11061307

이름 및 식별자

우선 이름: 1-(Cyclopropylcarbonyl)piperazine
IUPAC: cyclopropyl(piperazin-1-yl)methanone
영어명: 1-(CYCLOPROPANECARBONYL)PIPERAZINE 97
분자식: C8H14N2O
분자량: 154.21

이름 및 동의어

1-(Cyclopropylcarbonyl)piperazineRefChem:427575626-499-059878-57-8cyclopropyl(piperazin-1-yl)methanone1-cyclopropanecarbonylpiperazineCyclopropyl-piperazin-1-yl-methanoneMFCD06369645Piperazine, 1-(cyclopropylcarbonyl)-1-cyclopropylcarbonylpiperazineCHEMBL3329525N-(Cyclopropylcarbonyl)piperazine

이름 더 보기

Cyclopropyl(piperazin-1-yl)methan-1-one hydrochlorideyl]-benzonitrileCyclopropanecarbonyl piperazine1-(Cyclopropylcarbonyl)-piperazin1-(Cyclopropanecarbonyl)plperazineclopropyl(piperazin-1-yl)methanone

Cyclopropyl-1-piperazinylmethanoneCyclopropyl(1-piperazinyl)methanoneMethanone, cyclopropyl-1-piperazinyl-1-CyclopropanoylpiperazineSCHEMBL4981SCHEMBL8314P2E5L38YCGcyclopropyl piperazinyl ketone

데이터베이스 식별자

CAS: 59878-57-8
PubChem CID: 2064235
DTXSID: DTXSID30975277
ChEMBL: CHEMBL3329525
UNII: P2E5L38YCG
EC Number: 626-499-0
Nikkaji: J2.910.527H

물성

구조 계산 물성

XLogP: -0.5
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: 159

물리화학적 성질

끓는 점: 120 °C/0.15 · 120 °C/0.15 mmHg
밀도: 1.087 g/mL · 1.087 g/mL at 25 °C
굴절률: 20 · n20/D 1.524
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 8.47 · 8.47±0.10(Predicted)
물리적 상태: 액체
색상: 무색~엷은 갈색
InChI: InChI=1S/C8H14N2O/c11-8(7-1-2-7)10-5-3-9-4-6-10/h7,9H,1-6H2
InChIKey: WIHDAPMHNYYTOA-UHFFFAOYSA-N
SMILES: C(C1CC1)(N1CCNCC1)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 6.2% (3 of 48) of reports.

Danger

H315 (93.8%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 48 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.