1-Benzylpiperidine-4-carbaldehyde (HCID 89584)

名称と識別子

優先名称: 1-Benzylpiperidine-4-carbaldehyde
IUPAC: 1-benzylpiperidine-4-carbaldehyde
現地名: 1-ベンジル-4-ピペリジンカルボキシアルデヒド
英語名: N-Benzylpiperidine-4-carboxaldehyde
分子式: C13H17NO
分子量: 203.28

名称と別名

1-Benzylpiperidine-4-carbaldehyde1-Benzyl-4-formylpiperidineS5RKG3HX5A4-piperidinecarboxaldehyde, 1-(phenylmethyl)-N-BENZYL-4-FORMYLPIPERIDINEDTXSID201765541-(PHENYLMETHYL)-4-PIPERIDINECARBOXALDEHYDEEINECS 244-757-7RefChem:75015DTXCID8099045244-757-722065-85-6

名称をさらに表示

1-ベンジル-4-ピペリジンカルボキシアルデヒド1-ベンジルピペリジン-4-カルボアルデヒド1-ベンジル-4-ピペリジンカルボアルデヒド1-ベンジル-4-ピペリジンカルバルデヒド1-(フェニルメチル)-4-ピペリジンカルボアルデヒド1-ベンジル-4-ホルミルピペリジン1-ベンジルピペリジン-4-カルブアルデヒドN-ベンジルピペリジン-4-カルボキシアルデヒド1-ベンジルピペリジン-4-カルバルデヒドBenzylpiperidine-4-carboxaldehydeN-Benzyl-4-Piperidinecarboxaldehyde95%N-Benzylpiperidine-4-carboxaldehyde 95%1-(Phenylmethyl)-4-piperidinecarbaldehyde1-Benzyl-4-piperidinecarboxaldehyde,1-Benzyl-4-formylpiperidine1-Benzyl-4-formylpiperidine, [(4-Formylpiperidin-1-yl)methyl]benzeneZERO/005913

1-Benzyl-4-piperidinecarboxaldehydeN-Benzylpiperidine-4-carboxaldehyde1-Benzylpiperidine-4-carboxaldehyde1-benzyl-4-piperidine-carboxaldehydeMFCD022589021-benzyl-piperidine-4-carbaldehydeDonepezil Aldehyde Impurity4-FORMYL-1-BENZYLPIPERIDINE

データベース識別子

CAS: 22065-85-6
PubChem CID: 89584
DTXSID: DTXSID20176554
UNII: S5RKG3HX5A
EC Number: 244-757-7
Nikkaji: J285.424D

物性

構造計算による物性

XLogP: 1.7
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 191

物理化学的性質

融点: 145 · 145-149 °C
沸点: 315.4 °C/760 · 315.4 °C/760 mmHg
比重(密度): 1.026 g/mL · 1.026 g/mL at 25 °C
屈折率: 20 · n20/D 1.537
闪点: 230 °F · >230 °F
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
溶解性: Acetone (Slightly), Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Sli
外見: 液体
酸解離定数(Pka): 8.04 · 8.04±0.10(Predicted)
色: 無色透明～淡黄色
InChI: InChI=1S/C13H17NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2
InChIKey: SGIBOXBBPQRZDM-UHFFFAOYSA-N
SMILES: N1(CC2=CC=CC=C2)CCC(C=O)CC1
CAS データベース: 22065 · 22065-85-6(CAS DataBase Reference)

化学的性質

化学的特性Colorless Oil

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (89.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (10.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (89.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (10.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (89.4%)；Skin Irrit. 2 (10.6%)；Eye Dam. 1 (89.4%)；Eye Irrit. 2 (10.6%)

安全データ

wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 29333990
risk_code: 25-41
消防法: 危-4-3-III
hazard_code: T
safety_code: 26-28-36/37/39
hazard_class: IRRITANT
packing_group: Ⅲ
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 1 件

使用Reactant for:Stereospecific allylic alkylationReactions of Grignard reagents with carbonyl compoundsFluorodenitrations and nitrodehalogenations for labeled PET ligands and fluoropharmaceuticalsSelective α1 receptor antagonistsReactant for synthesis of:DonepezilMCH-R1 antagonists