1-ベンジルピペリジン

1-Benzylpiperidine

HCID 76190

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2905-56-8
標準SMILES: c1ccc(CN2CCCCC2)cc1
InChIKey: NZVZVGPYTICZBZ-UHFFFAOYSA-N
分子式: C12H17N
平均分子量: 175.27 g/mol
単同位体質量: 175.13609955

名称と識別子

優先名称: 1-Benzylpiperidine
IUPAC: 1-benzylpiperidine
現地名: 1-ベンジルピペリジン
英語名: 1-Benzylpiperidine
分子式: C12H17N
分子量: 175.27

名称と別名

1-Benzylpiperidine2905-56-8Piperidine, 1-(phenylmethyl)-N-benzylpiperidine7HZE16210BJ80.591BDTXSID80183289RefChem:75014DTXCID40105780220-809-4benzylpiperidineMFCD00224901

名称をさらに表示

1-ベンジルピペリジン1-Benzylpiperidin1-Benzylpiperdine1-Benzylpiperidine >Benidipine Impurity 281-Benzylpiperidine, 95%Cefoperazone Monomer-d5

1-(phenylmethyl)piperidineUNII-7HZE16210Bbenzyl-piperidineN-benzyl piperidineN-benzyl-piperidine1-benzyl-piperidineEINECS 220-809-41-Benzylpiperidine #

データベース識別子

CAS: 2905-56-8
PubChem CID: 76190
DTXSID: DTXSID80183289
ChEMBL: CHEMBL1195764
UNII: 7HZE16210B
EC Number: 220-809-4
Nikkaji: J80.591B

物性

構造計算による物性

XLogP: 2.6
極性表面積: 3.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 132

物理化学的性質

融点: 178 · 178-179 °C
沸点: 120 · 120-123°C 9mm
比重(密度): 0 · 0,95 g/cm3
屈折率: 1.526 · 1.5260
闪点: 120 · 120-123°C/9mm
貯蔵温度: Sealed in dry,Room Temperature
水溶解度: Insoluble in water
外見: clear liquid
酸解離定数(Pka): 9.02 · 9.02±0.10(Predicted)
色: Colorless to Light yellow
BRN: 5639 · 5639
CAS データベース: 2905 · 2905-56-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.