5-(Aminomethyl)-2-(trifluoromethyl)pyridine

HCID 2737718

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기본 정보

CAS: 387350-39-2
표준 SMILES: NCc1ccc(C(F)(F)F)nc1
InChIKey: XPXVAYGVYBQKDE-UHFFFAOYSA-N
분자식: C7H7F3N2
평균 분자량: 176.14 g/mol
단동위원소 질량: 176.05613288

이름 및 식별자

우선 이름: 5-(Aminomethyl)-2-(trifluoromethyl)pyridine
IUPAC: [6-(trifluoromethyl)-3-pyridinyl]methanamine
영어명: 3-AMINOMETHYL-6-(TRIFLUOROMETHYL)PYRIDINE
분자식: C7H7F3N2
분자량: 176.14

이름 및 동의어

5-(aminomethyl)-2-(trifluoromethyl)pyridineRefChem:530644671-088-1387350-39-23-(aminomethyl)-6-(trifluoromethyl)pyridine3-Aminomethyl-6-(trifluoromethyl)pyridine[6-(trifluoromethyl)pyridin-3-yl]methanamine5-aminomethyl-2-(trifluoromethyl)pyridine(6-(trifluoromethyl)pyridin-3-yl)methanamine3-Pyridinemethanamine, 6-(trifluoromethyl)-MFCD01862649[6-(trifluoromethyl)-3-pyridyl]methylamine

이름 더 보기

Desvenlafaxine Succinate Acid6-(trifluoromethyl)-3-Pyridinemethanamine6-(trifluoromethyl)pyridine-3-ylmethylamine3-(Aminomethyl)-6-(trifluoromethyl)pyridineHCl5-(Aminomethyl)-2-(trifluoromethyl)pyridine96%C-(6-TrifluoroMethyl-pyridin-3-yl)-MethylaMine

6-trifluoromethylpyrid-3-ylmethyl amine[6-(trifluoromethyl)-3-pyridyl]methanamine[6-(trifluoromethyl)pyridin-3-yl]methylamine([6-(trifluoromethyl)pyridin-3-yl]methyl)amine1-[6-(trifluoromethyl)pyridin-3-yl]methanamineSCHEMBL40545SCHEMBL317731SCHEMBL29404783

데이터베이스 식별자

CAS: 387350-39-2
PubChem CID: 2737718
DTXSID: DTXSID10372225
EC Number: 671-088-1

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 146

물리화학적 성질

끓는 점: 62 · 62-64°C/0.5mm
밀도: 1.293 · 1.293±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 7.85 · 7.85±0.29(Predicted)
물리적 상태: 액체
색상: Clear, almost colourless
InChI: InChI=1S/C7H7F3N2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h1-2,4H,3,11H2
InChIKey: XPXVAYGVYBQKDE-UHFFFAOYSA-N
SMILES: C1=NC(C(F)(F)F)=CC=C1CN

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.