4-(ピペリジン-1-イルメチル)アニリン

4-(Piperidin-1-ylmethyl)aniline

HCID 846150

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 29608-05-7
標準SMILES: Nc1ccc(CN2CCCCC2)cc1
InChIKey: DRYFDUUAYSVNSN-UHFFFAOYSA-N
分子式: C12H18N2
平均分子量: 190.28 g/mol
単同位体質量: 190.14699858

名称と識別子

優先名称: 4-(Piperidin-1-ylmethyl)aniline
IUPAC: 4-(piperidin-1-ylmethyl)aniline
現地名: 4-(ピペリジン-1-イルメチル)アニリン
英語名: 4-Piperidin-1-ylmethyl-phenylamine
分子式: C12H18N2
分子量: 190.28

名称と別名

4-(piperidin-1-ylmethyl)aniline29608-05-7DTXSID80357165RefChem:289338DTXCID90308224810-866-94-Piperidin-1-ylmethyl-phenylamine4-(PIPERIDYLMETHYL)ANILINE4-(1-piperidinylmethyl)anilineBENZENAMINE, 4-(1-PIPERIDINYLMETHYL)-4-(Piperidylmethyl)phenylamine4-piperidin-1-ylmethyl-aniline

名称をさらに表示

4-(ピペリジン-1-イルメチル)アニリン4-[(ピペリジン-1-イル)メチル]アニリン4-(ピペリジノメチル)アニリンAKOS B014375AKOS MSC-0180ASISCHEM W54645TIMTEC-BB SBB007056ART-CHEM-BB B014375ART-CHEM-BB B0160204-(1-piperidylmethyl)aniline

4-aminobenzylpiperidineMFCD034225164-[(piperidin-1-yl)methyl]aniline4-(piperidin-1-ylmethyl)benzenamine4-(Piperidinomethyl)aniline1-(4-Aminobenzyl)piperidineBAS 054384884-piperidin-1-ylmethylphenylamine

データベース識別子

CAS: 29608-05-7
PubChem CID: 846150
DTXSID: DTXSID80357165
EC Number: 810-866-9
Nikkaji: J2.502.212B

物性

構造計算による物性

XLogP: 1.9
極性表面積: 29.3 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: 2
重原子数: 14
形式電荷: 0
複雑度: 156

物理化学的性質

融点: 90 · 90-93
沸点: 308.7 · 308.7±17.0 °C(Predicted)
比重(密度): 1.068 · 1.068±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: crystalline powder
酸解離定数(Pka): 9 · 9+-.0.10(Predicted)
色: Brown
CAS データベース: 29608 · 29608-05-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P362+P364, P363, 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.