4-ヒドロキシピペリジン

Piperidin-4-ol

HCID 79341CAS 5382-16-1

部分構造検索類似構造を探す

基本情報

標準SMILES: OC1CCNCC1
InChIKey: HDOWRFHMPULYOA-UHFFFAOYSA-N
分子式: C5H11NO
平均分子量: 101.15 g/mol
単同位体質量: 101.08406397

名称と識別子

優先名称: Piperidin-4-ol
IUPAC: piperidin-4-ol
現地名: 4-ヒドロキシピペリジン
英語名: 4-Hydroxypiperidine
分子式: C5H11NO
分子量: 101.15

名称と別名

4-HydroxypiperidinePiperidin-4-ol4-PiperidinolKC61EA060XEINECS 226-373-1NSC 62083NSC-62083UNII-KC61EA060XAI3-391584-HYDROXYHEXAHYDROPYRIDINEDTXSID102020984-piperidinol (4-hydroxypiperidine)

名称をさらに表示

4-ヒドロキシピペリジンピペリジン-4α-オール4-ピペリジノールピペリジン-4-オールピペリジン-4β-オール4ヒドロキシピペリジン4PPOL4-piperidinylAURORA KA-1006Piperidine-4α-olPiperidine-4β-ol4-Hydropiperidine4-Piperidinol ,99%4-hydroxypiperdine

4piperidinolPiperidin4olRefChem:174423DTXCID10124589UN3263226-373-1HDOWRFHMPULYOA-UHFFFAOYSA-N5382-16-1

データベース識別子

CAS: 5382-16-1
PubChem CID: 79341
DTXSID: DTXSID10202098
ChEMBL: CHEMBL284022
UNII: KC61EA060X
EC Number: 226-373-1
Nikkaji: J86.548F

物性

構造計算による物性

XLogP: -0.3
極性表面積: 32.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 50

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other

Physical DescriptionHygroscopic solid; [Alfa Aesar MSDS]

物理化学的性質

融点: 86 · 86-90 °C
沸点: 108 · 108-114 °C/10 mmHg (lit.)
比重(密度): 0.9903 · 0.9903 (rough estimate)
蒸気圧: 13 Pa · 13Pa at 25℃
屈折率: 1.44 · 1.4400 (estimate)
闪点: 226 °F · 226 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 14.94 · 14.94±0.20(Predicted)
色: オフホワイトからペールイエロー
PH: 11.5 · 11.5-11.7 (H2O)Aqueous solution
水溶解度: 溶ける
BRN: 102738 · 102738
InChI: 1S/C5H11NO/c7-5-1-3-6-4-2-5/h5-7H,1-4H2
InChIKey: HDOWRFHMPULYOA-UHFFFAOYSA-N
SMILES: OC1CCNCC1
LogP: -0.35 at · -0.35 at 25℃
CAS データベース: 5382 · 5382-16-1(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Hydroxypiperidine(5382-16-1)

化学的性質

化学的特性yellow to yellow-orange wet solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (24.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 4-Piperidinol

Status: Active Update: 03-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20857

4-Piperidinol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (24.4%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

wgk: 3
ridadr: 3263
hs_code: 29333999
risk_code: 36/37/38-34
化審法: (9)-2218
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 26-36-37/39-45-36/37/39-27
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用4-Hydroxypiperidine is used as a reagent for the synthesis of acridine (A190900) derivatives and fibrinogen receptor antagonists.

一般的な説明The molecular structure, vibrational spectra, NBO and UV-spectral analysis of 4-Hydroxypiperidine have been studied. The compounds with a substituted 4-piperidinol core have been found to be potent antagonists of the human H(3) receptor.