CAS 221198-99-8 3-Fluoro-4-(4-methylpiperazin-1-yl)aniline (HCID 2783055)

基本情報

CAS: 221198-99-8
標準SMILES: CN1CCN(c2ccc(N)cc2F)CC1
InChIKey: GOPUCAPKOUZKPS-UHFFFAOYSA-N
分子式: C11H16FN3
平均分子量: 209.26 g/mol
単同位体質量: 209.13282573

名称と識別子

優先名称: 3-Fluoro-4-(4-methylpiperazin-1-yl)aniline
IUPAC: 3-fluoro-4-(4-methylpiperazin-1-yl)aniline
現地名: 3-フルオロ-4-(4-メチルピペラジノ)アニリン
英語名: 3-Fluoro-4-(4-methylpiperazin-1-yl)aniline
分子式: C11H16FN3
分子量: 209.26

名称と別名

221198-99-83-fluoro-4-(4-methylpiperazin-1-yl)anilineDTXSID40382418RefChem:501712DTXCID20333443887-854-53-fluoro-4-(4-methyl-1-piperazinyl)aniline3-Fluoro-4-(4-methyl-1-piperazinyl)benzenamine3-Fluoro-4-(4-methylpiperazino)anilineMFCD05663793SCHEMBL159044EN300-231127

名称をさらに表示

3-フルオロ-4-(4-メチルピペラジノ)アニリン3-fluoro-4-(4-methyl-1-pi...1-(4-Amino-2-fluorophenyl)-4-methylpiperazine3-Fluoro-4-(4-methylpiperazin-1-yl)phenylamine[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amine dihydrochloride

CCG-358893[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amine3-fluoro-4-(4-methylpiperazinyl)phenylamineBENZENAMINE, 3-FLUORO-4-(4-METHYL-1-PIPERAZINYL)-GOPUCAPKOUZKPCHEMBL5435017SCHEMBL28793988SCHEMBL29520597

データベース識別子

CAS: 221198-99-8
PubChem CID: 2783055
DTXSID: DTXSID40382418
ChEMBL: CHEMBL5435017
EC Number: 887-854-5

物性

構造計算による物性

XLogP: 1.3
極性表面積: 32.5 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 204

物理化学的性質

融点: 87 · 87-89
沸点: 349.5 · 349.5±42.0 °C(Predicted)
比重(密度): 1.167 · 1.167±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 7.56 · 7.56±0.42(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.