1-(2-푸로일)피레라진

1-(2-Furoyl)piperazine

HCID 550206CAS 40172-95-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(c1ccco1)N1CCNCC1
InChIKey: SADPINFEWFPMEA-UHFFFAOYSA-N
분자식: C9H12N2O2
평균 분자량: 180.2 g/mol
단동위원소 질량: 180.08987762

이름 및 식별자

우선 이름: 1-(2-Furoyl)piperazine
IUPAC: furan-2-yl(piperazin-1-yl)methanone
현지명: 1-(2-푸로일)피레라진
영어명: 1-(2-Furoyl)piperazine
분자식: C9H12N2O2
분자량: 180.2

이름 및 동의어

1-(2-Furoyl)piperazine40172-95-0n-(2-furoyl)piperazine8AUX72LL1PDTXSID70577351-(Furan-2-ylcarbonyl)piperazine(furan-2-yl)(piperazin-1-yl)methanoneEINECS 254-823-7DTXCID8031524N-(FURAN-2-OYL)PIPERAZINE1-PENTANONMETHANONE, 2-FURANYL-1-PIPERAZINYL-PRAZOSIN HYDROCHLORIDE IMPURITY D [EP IMPURITY]

이름 더 보기

1-(2-푸로일)피레라진1-(2-푸로일)피페라진AKOS BB/0087AKOS B003992AKOS BBS-00003689BIO-FARMA BF003584TIMTEC-BB SBB003747RARECHEM AH CK 0108N-Furoyl piperazine2-furoic piperazideTerazosin Impurity102-(2-FUROYL)PIPERAZINE

TERAZOSIN HYDROCHLORIDE DIHYDRATE IMPURITY L [EP IMPURITY]PRAZOSIN HYDROCHLORIDE IMPURITY D (EP IMPURITY)TERAZOSIN HYDROCHLORIDE DIHYDRATE IMPURITY L (EP IMPURITY)RefChem:422146254-823-7furan-2-yl(piperazin-1-yl)methanone1-(furan-2-carbonyl)piperazineMFCD00038831

데이터베이스 식별자

CAS: 40172-95-0
PubChem CID: 550206
DTXSID: DTXSID7057735
ChEMBL: CHEMBL3560648
UNII: 8AUX72LL1P
EC Number: 254-823-7
Nikkaji: J332.377C

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 45.5 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

녹는점: 67 · 67-70 °C(lit.)
끓는 점: 137 · 137-140°C 0,1mm
밀도: 1.1819 · 1.1819 (rough estimate)
굴절률: 1.5373 · 1.5373 (estimate)
인화점: 230 °F · >230 °F
저장 조건: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
산도 계수 (pKa): 8.37 · 8.37±0.10(Predicted)
색상: 흰색에서 연한 노란색
BRN: 880196 · 880196
안정성: 흡습성이 매우 높음
InChI: 1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
InChIKey: SADPINFEWFPMEA-UHFFFAOYSA-N
SMILES: O=C(N1CCNCC1)c2ccco2

화학적 성질

white to light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (98.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 91 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 19-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26142

Hazard Classes and CategoriesSkin Irrit. 2 (98.9%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
위험 등급: IRRITANT
F 고인화성물질: 10-34
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도1-(2-Furoyl)piperazine may be used to synthesize: 2-[4-(2-furoyl) piperazin-1-yl]-4-amino-6-benzyloxy-7-methoxyquinazoline hydrochloride monohydrate2-[4-(2-furoyl)piperazin-1-yl]-4-amino-7-benzyloxy-6-methoxyquinazoline hydrochloride monohydrate4-amino-2-[4-(2-furoyl)piperazin-1-yl]-quinazoline hydrochloride6,7-dimethoxy-2-[4-(2-furoyl)-piperazin-1-yl]quinazoline-4-one hydrate1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-furoyl)-piperazine hydrogen oxalate1-(3,4-dichlorobenzyl)-4-(2-furoyl)-piperazine hydrogen oxalate4-(9-fluorenyl)-1-(2-furoyl)piperazine2-[4-(2-furoyl)piperazin-1-yl]-benzimidazole hydrochloride hydrate