4-(4-Fluorobenzylamino)-1-methylpiperidine

HCID 2846645

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基本情報

CAS: 359878-47-0
標準SMILES: CN1CCC(NCc2ccc(F)cc2)CC1
InChIKey: PLYWEOOWONUOBN-UHFFFAOYSA-N
分子式: C13H19FN2
平均分子量: 222.3 g/mol
単同位体質量: 222.15322678

名称と識別子

優先名称: 4-(4-Fluorobenzylamino)-1-methylpiperidine
IUPAC: N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine
英語名: N-[(4-Fluorophenyl)methyl]-1-methyl-4-piperidinamine
分子式: C13H19FN2
分子量: 222.3

名称と別名

4-(4-FLUOROBENZYLAMINO)-1-METHYLPIPERIDINEN-[(4-Fluorophenyl)methyl]-1-methyl-4-piperidinamineGZO2P453RXUNII-GZO2P453RXN-((4-Fluorophenyl)methyl)-1-methyl-4-piperidinamine(1-Methylpiperidin-4-yl)(4-fluorobenzyl)amineDTXSID403858484-Piperidinamine, N-((4-fluorophenyl)methyl)-1-methyl-4-Piperidinamine, N-[(4-fluorophenyl)methyl]-1-methyl-RefChem:97231DTXCID00336871810-466-4

名称をさらに表示

N-[(4-FL-4-piperidinaminePimavanserin Impurity 1 HClN-(4-flurobenzyl)-1-methylpiperidin-4-Amine(4-fluorobenzyl)-(1-methylpiperidin-4-yl)amine

359878-47-0N-(4-fluorobenzyl)-1-methylpiperidin-4-amineN-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amineMFCD00979813Pimavanserin Impurity 1N-(4-Fluorobenzyl)-1-methyl-4-piperidinamineOprea1_331209SCHEMBL970899

データベース識別子

CAS: 359878-47-0
PubChem CID: 2846645
DTXSID: DTXSID40385848
UNII: GZO2P453RX
EC Number: 810-466-4

物性

構造計算による物性

XLogP: 2
極性表面積: 15.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 194

物理化学的性質

沸点: 305 ℃ · 305℃
比重(密度): 1.07 · 1.07
闪点: 138 ℃ · 138℃
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
溶解性: Chloroform (Slightly), Methanol (Slightly)
酸解離定数(Pka): 9.38 · 9.38±0.20(Predicted)
外見: Oil
色: Light Yellow
InChI: InChI=1S/C13H19FN2/c1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11/h2-5,13,15H,6-10H2,1H3
InChIKey: PLYWEOOWONUOBN-UHFFFAOYSA-N
SMILES: N1(C)CCC(NCC2=CC=C(F)C=C2)CC1

安全と法規制

GHS分類

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.