1-(2-플루오로페닐)피페라진

1-(2-Fluorophenyl)piperazine

HCID 70529CAS 1011-15-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Fc1ccccc1N1CCNCC1
InChIKey: IVTZRJKKXSKXKO-UHFFFAOYSA-N
분자식: C10H13FN2
평균 분자량: 180.22 g/mol
단동위원소 질량: 180.10627664

이름 및 식별자

우선 이름: 1-(2-Fluorophenyl)piperazine
IUPAC: 1-(2-fluorophenyl)piperazine
현지명: 1-(2-플루오로페닐)피페라진
영어명: 1-(2-Fluorophenyl)piperazine
분자식: C10H13FN2
분자량: 180.22

이름 및 동의어

1-(2-Fluorophenyl)piperazine1011-15-0EINECS 213-780-4DTXSID30143732RefChem:422125DTXCID7066223213-780-4Piperazine, 1-(2-fluorophenyl)-1-(2-Fluorophenyl)-piperazineMFCD000407261-(2-Fluoro-phenyl)-piperazineCHEMBL9429

이름 더 보기

1-(2-플루오로페닐)피페라진1-(o-Fluorophenyl)piperazineAKOS BBS-000036154-(95-Butyl)phenolRARECHEM AH CK 0103LABOTEST-BB LT001593661-(2-Fluorphenyl)-piperazineN-(2-Fluorophenyl)piperazine2-(1-Piperazino)fluorobenzene

(2-fluorophenyl)piperazine4-(2-Fluorophenyl)piperazineoFPP2-fluorophenylpiperazine2-Fluorophenyl piperazine4-(fluorophenyl)piperazineortho-fluorophenylpiperazine1-(2-flurophenyl)piperazine

데이터베이스 식별자

CAS: 1011-15-0
PubChem CID: 70529
DTXSID: DTXSID30143732
ChEMBL: CHEMBL9429
EC Number: 213-780-4
Nikkaji: J217.128G

물성

구조 계산 물성

XLogP: 1.5
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: 157

실험 및 물리화학적 성질

Drugs · 2건

DEA NFLIS-Drug Category -> Piperazines (Hallucinogen)

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

물리화학적 성질

녹는점: 44 · 44-48℃
끓는 점: 150 °C/3 · 150 °C/3 mmHg (lit.)
밀도: 1.141 g/mL · 1.141 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.556(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Storage temp. 2-8°C
용해도: DMSO(약간 용해됨, 가열), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 8.78 · 8.78±0.10(Predicted)
색상: 무색투명~연황색
BRN: 611787 · 611787
InChI: 1S/C10H13FN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey: IVTZRJKKXSKXKO-UHFFFAOYSA-N
SMILES: Fc1ccccc1N2CCNCC2

화학적 성질

clear colorless to light yellow liquid

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, P317, 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.