1-(4-플루오로페닐)피페라진

1-(4-Fluorophenyl)piperazine

HCID 75260CAS 2252-63-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Fc1ccc(N2CCNCC2)cc1
InChIKey: AVJKDKWRVSSJPK-UHFFFAOYSA-N
분자식: C10H13FN2
평균 분자량: 180.22 g/mol
단동위원소 질량: 180.10627664

이름 및 식별자

우선 이름: 1-(4-Fluorophenyl)piperazine
IUPAC: 1-(4-fluorophenyl)piperazine
현지명: 1-(4-플루오로페닐)피페라진
영어명: 1-(4-Fluorophenyl)piperazine
분자식: C10H13FN2
분자량: 180.22

이름 및 동의어

1-(4-Fluorophenyl)piperazine2252-63-34-Fluoro-phenylpiperazineFlipiperazinepFPPpara-fluorophenylpiperazine4-FPPVML61BE244J213.146Cp-fluoro-phenylpiperazineRefChem:523367para-fluoro-phenylpiperazine

이름 더 보기

1-(4-플루오로페닐)피페라진1-(4-Fluorophenyl)piperazine, 98% 10GRMONA-004AKOS BBS-00003614RARECHEM AH CK 0104TIMTEC-BB SBB000218LABOTEST-BB LT00053495FLUOROPHENYL PIPERAZINEp-FluorophenylpiperazineN-(p-Fluorophenyl)piperazine

218-846-64-fluorophenylpiperazineN-(4-Fluorophenyl)piperazinePiperazine, 1-(4-fluorophenyl)-1-(p-Fluorophenyl)piperazine4-(4-fluorophenyl)piperazine1-(4'-Fluorophenyl)piperazine1-(4-fluoro-phenyl)-piperazine

데이터베이스 식별자

CAS: 2252-63-3
PubChem CID: 75260
DTXSID: DTXSID50177039
ChEMBL: CHEMBL1184236
UNII: VML61BE244
EC Number: 218-846-6
Nikkaji: J213.146C

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 149

실험 및 물리화학적 성질

Drugs · 2건

DEA NFLIS-Drug Category -> Piperazines (Hallucinogen)

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

SpringerMaterials PropertiesChemical structure

물리화학적 성질

녹는점: 30 · 30-33 °C (lit.)
끓는 점: 118 · 118-123 °C/0.1 mmHg (lit.)
밀도: 1 · 1.0
굴절률: 1.5585 · 1.5585-1.5605
인화점: 230 °F · >230 °F
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 녹은 후에 액체
산도 계수 (pKa): 8.93 · 8.93±0.10(Predicted)
색상: 맑은 노란색
수용성: 물에 불용성.
BRN: 610723 · 610723
InChI: 1S/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey: AVJKDKWRVSSJPK-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)N2CCNCC2
NIST: 1 · 1-(P-fluorophenyl)piperazine(2252-63-3)

화학적 성질

clear yellowish liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (10.9%)

안전 데이터

wgk: 2
ridadr: 2811
HS 번호: 29339900
risk_code: 22-36/37/38-20/21/22
hazard_code: Xn,T,C
safety_code: 26-36
포장분류: III
위험 등급: 8
위험 참고 사항: Toxic/Corrosive
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-(4-Fluorophenyl)piperazine is a major metabolite of Niaparazine, a sedative, hypnotic drug. Metabolites of Niaprazine occurred by N-dealkylation, N-dearylation, aromatic hydroxylation and N-oxidatio n.