(4-アミノフェニル)(1-ピロリジニル)メタノン

4-(Pyrrolidin-1-ylcarbonyl)aniline

HCID 577800CAS 56302-41-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ccc(C(=O)N2CCCC2)cc1
InChIKey: WDNQOCWBZBGFHU-UHFFFAOYSA-N
分子式: C11H14N2O
平均分子量: 190.24 g/mol
単同位体質量: 190.11061307

名称と識別子

優先名称: 4-(Pyrrolidin-1-ylcarbonyl)aniline
IUPAC: (4-aminophenyl)-pyrrolidin-1-ylmethanone
現地名: (4-アミノフェニル)(1-ピロリジニル)メタノン
英語名: 4-(PYRROLIDIN-1-YLCARBONYL)ANILINE
分子式: C11H14N2O
分子量: 190.24

名称と別名

56302-41-14-(pyrrolidin-1-ylcarbonyl)anilineDTXSID00342018RefChem:289438DTXCID20293098673-492-3(4-aminophenyl)(pyrrolidin-1-yl)methanone4-(1-Pyrrolidinylcarbonyl)aniline(4-aminophenyl)(1-pyrrolidinyl)methanone4-(pyrrolidine-1-carbonyl)aniline(4-aminophenyl)-pyrrolidin-1-ylmethanone(4-Amino-phenyl)-pyrrolidin-1-yl-methanone

名称をさらに表示

(4-アミノフェニル)(1-ピロリジニル)メタノン4-carboxamidopyrrolidinophenyl-anilineMethanone, (4-aminophenyl)(1-pyrrolidinyl)-4-(pyrrolidin-1-ylcarbonyl)aniline(SALTDATA: FREE)

MFCD02046794(4-aminophenyl)-pyrrolidin-1-yl-methanone4-aminophenyl pyrrolidinyl ketone4-(Pyrrolidinocarbonyl)aniline(4-aminophenyl)pyrrolidin-1-yl-methanoneMLS000122032(4-aminobenzoyl)pyrrolidineN-p-aminobenzoyl pyrrolidine

データベース識別子

CAS: 56302-41-1
PubChem CID: 577800
DTXSID: DTXSID00342018
ChEMBL: CHEMBL1329163
EC Number: 673-492-3
Nikkaji: J1.310.822F

物性

構造計算による物性

XLogP: 1.2
極性表面積: 46.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 203

物理化学的性質

融点: 181 · 181-183 °C
沸点: 391 · 391.0±25.0 °C(Predicted)
比重(密度): 1.195 · 1.195±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 3.02 · 3.02±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.