1-(시클로헥실카르보닐)피페라진97

1-(Cyclohexylcarbonyl)piperazine

HCID 3437502CAS 27561-62-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(C1CCCCC1)N1CCNCC1
InChIKey: ZSZROXCAFYZNHE-UHFFFAOYSA-N
분자식: C11H20N2O
평균 분자량: 196.29 g/mol
단동위원소 질량: 196.15756326

이름 및 식별자

우선 이름: 1-(Cyclohexylcarbonyl)piperazine
IUPAC: cyclohexyl(piperazin-1-yl)methanone
현지명: 1-(시클로헥실카르보닐)피페라진97
영어명: 1-(Cyclohexylcarbonyl)piperazine
분자식: C11H20N2O
분자량: 196.29

이름 및 동의어

27561-62-21-(Cyclohexylcarbonyl)piperazineDTXSID20392479RefChem:226405DTXCID20343340625-296-4cyclohexyl(piperazin-1-yl)methanone1-cyclohexanecarbonylpiperazineMethanone, cyclohexyl-1-piperazinyl-MFCD06798113SCHEMBL930742N-(Cyclohexylcarbonyl)piperazine

이름 더 보기

1-(시클로헥실카르보닐)피페라진97Cyclohexyl-1-piperazinylmethanone1-(Cyclohexylcarbonyl)piperazine 97%1-(CYCLOHEXYLCARBONYL)PIPERAZINE 976,6'-Bis(trimethylsilyl)-2,2'-bipyridine1-(Cyclohexylcarbonyl)piperazine≥ 97%(GC)1-(Cyclohexylcarbonyl)piperazine, 97% white to brown solid

1-(Cyclohexylcarbonyl)piperazine, 97%DS-12938C3377CS-0124436EN300-56915Maybridge1_006754cyclohexyl-piperazin-1-yl-methanone1-(CYCLOHEXYLCARBONYL)PIPERAZINE97

데이터베이스 식별자

CAS: 27561-62-2
PubChem CID: 3437502
DTXSID: DTXSID20392479
EC Number: 625-296-4
Nikkaji: J2.027.960E

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 193

물리화학적 성질

녹는점: 84 · 84-89 °C (lit.)
끓는 점: 350.5 · 350.5±35.0 °C(Predicted)
밀도: 1.047 · 1.047±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 8.47 · 8.47±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 갈색으로
InChI: InChI=1S/C11H20N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h10,12H,1-9H2
InChIKey: ZSZROXCAFYZNHE-UHFFFAOYSA-N
SMILES: C(C1CCCCC1)(N1CCNCC1)=O

화학적 성질

White to off white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.