1-(Tetrahydro-2-furoyl)piperazine

HCID 2734641CAS 63074-07-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(C1CCCO1)N1CCNCC1
InChIKey: UKESBLFBQANJHH-UHFFFAOYSA-N
분자식: C9H16N2O2
평균 분자량: 184.24 g/mol
단동위원소 질량: 184.12117775

개요

1-(Tetrahydro-2-furoyl)piperazine is a member of phytanoyl-CoAs.

이름 및 식별자

우선 이름: 1-(Tetrahydro-2-furoyl)piperazine
IUPAC: oxolan-2-yl(piperazin-1-yl)methanone
영어명: 1-(Tetrahydro-2-furoyl)piperazine
분자식: C9H16N2O2
분자량: 184.24

이름 및 동의어

1-(Tetrahydro-2-furoyl)piperazineRefChem:428724613-137-163074-07-71-(2-tetrahydrofuroyl)piperazinepiperazin-1-yl(tetrahydrofuran-2-yl)methanone1-(2-Tetrahydrofuroyl)-piperazineoxolan-2-yl(piperazin-1-yl)methanone1-(oxolane-2-carbonyl)piperazineMFCD00190247Terazosin EP Impurity N1-(tetrahydrofuran-2-ylcarbonyl)piperazine

이름 더 보기

TIMTEC-BB SBB005794RARECHEM AH CK 0199Terazosin Impurity 2Terazosin Impurity18Tetrahydro piperazineTETRAHYDROFUROYL PIPERAZINEN-(2-Terahydro-furoyl)piperazine

N-(Tetrahydro-2-furoyl)piperazine1-(tetrahydro-2-furoyl)-piperazinen-(2-tetrahydrofuroyl)piperazinepiperazin-1-yl-(tetrahydro-furan-2-yl)-methanoneMETHANONE, 1-PIPERAZINYL(TETRAHYDRO-2-FURANYL)-4-((Tetrahydrofuran-2-yl)carbonyl)piperazineD9EO38Y0851-(((2RS)-Tetrahydrofuran-2-yl)carbonyl)piperazine

데이터베이스 식별자

CAS: 63074-07-7
PubChem CID: 2734641
DTXSID: DTXSID00866966
ChEBI: CHEBI:188788
UNII: D9EO38Y085
EC Number: 613-137-1
Nikkaji: J829.713D

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 190

물리화학적 성질

끓는 점: 140 °C · 140 °C (1.5002 mmHg)
밀도: 1.17 · 1.17
굴절률: 1.5195 · 1.5195-1.5215
인화점: 120 · 120-125°C/0.2mm
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 점성 액체
산도 계수 (pKa): 8.37 · 8.37±0.10(Predicted)
색상: 무색~황색
수용성: 물에 완전히 섞임.
BRN: 880578 · 880578
InChI: 1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2
InChIKey: UKESBLFBQANJHH-UHFFFAOYSA-N
SMILES: O=C(C1CCCO1)N2CCNCC2

화학적 성질

colorless to yellow viscous liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 45.2% (42 of 93) of reports.

Warning

H319 (50.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 93 reports by companies from 8 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2A (50.5%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36/37/38-36
hazard_code: Xi
safety_code: 37/39-26-37
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도1-(Tetrahydro-2-furoyl)-piperazine (Terazosin EP Impurity N) has been used as a reactant for the preparation of pyrazol-3-propanoic acid derivatives as inhibitors of leukotriene biosynthesis in human neutrophils.