1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine

HCID 2777786CAS 87394-63-6

기본 정보

표준 SMILES: FC(F)(F)c1cccnc1N1CCNCC1
InChIKey: FRFKCMNQNNNZNO-UHFFFAOYSA-N
분자식: C10H12F3N3
평균 분자량: 231.22 g/mol
단동위원소 질량: 231.09833204

이름 및 식별자

우선 이름: 1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
IUPAC: 1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
영어명: 1-[3-(TRIFLUOROMETHYL)PYRID-2-YL]PIPERAZINE
분자식: C10H12F3N3
분자량: 231.22

이름 및 동의어

1-[3-(trifluoromethyl)pyridin-2-yl]piperazine1-(3-(trifluoromethyl)pyridin-2-yl)piperazine1-[3-(trifluoromethyl)-2-pyridinyl]piperazineDTXSID7010075231-(3-(Trifluoromethyl)-2-pyridinyl)piperazineRefChem:428915DTXCID601434375989-456-887394-63-61-[3-(Trifluoromethyl)pyrid-2-yl]piperazineMFCD001147051-(3-Trifluoromethyl-pyridin-2-yl)-piperazine

이름 더 보기

BUTTPARK 27\08-971-(3-Trifluoromethyl-pyridin-2-yl)-p6 1-[3-(Trifluoromethyl)pyrid-2-yl]piperazine1-(3-Trifluoromethyl-2-pyridyl)piperazine 2HCl2-(Piperazin-1-yl)-3-(trifluoromethyl)pyridine1-[3-(Trifluoromethyl)pyridine-2-yl]piperazine1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine99%

1-[3-(trifluoromethyl)-2-pyridyl]piperazineCHEMBL456631-(3-trifluoromethylpyridin-2-yl)piperazine[3-(trifluoromethyl)-2-pyridyl]piperazine1-(3-(trifluoromethyl)-2-pyridyl)piperazine49NSCHEMBL233710SCHEMBL1366662

데이터베이스 식별자

CAS: 87394-63-6
PubChem CID: 2777786
DTXSID: DTXSID201380746
ChEMBL: CHEMBL45663
EC Number: 989-456-8

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 28.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 226

물리화학적 성질

녹는점: 45 · 45-47°C
끓는 점: 106 °C · 106°C 1,5mm
밀도: 1.253 · 1.253±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.41 · 8.41±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.