フェニル(4-ピペリジニル)メタノール

Phenyl-piperidin-4-yl-methanol

HCID 339086CAS 38081-60-6

部分構造検索類似構造を探す

基本情報

標準SMILES: OC(c1ccccc1)C1CCNCC1
InChIKey: DUZLYYVHAOTWSF-UHFFFAOYSA-N
分子式: C12H17NO
平均分子量: 191.27 g/mol
単同位体質量: 191.13101416

名称と識別子

優先名称: Phenyl-piperidin-4-yl-methanol
IUPAC: phenyl(piperidin-4-yl)methanol
現地名: フェニル(4-ピペリジニル)メタノール
英語名: Phenyl-piperidin-4-yl-methanol
分子式: C12H17NO
分子量: 191.27

名称と別名

Phenyl-piperidin-4-yl-methanolRefChem:861686820-433-6phenyl(piperidin-4-yl)methanol38081-60-6Phenylpiperidin-4-ylmethanolMFCD05864581a-Phenyl-4-piperidinemethanolphenyl(4-piperidinyl)methanolphenyl(4-piperidyl)methanol4-Piperidinemethanol, |A-phenyl-phenyl-4-piperidylmethan-1-ol

名称をさらに表示

フェニル(4-ピペリジニル)メタノールα-Phenyl-4-piperidinemethanola-Phenyl-4-piperidinemethanol]4-Piperidinemethanol, α-phenyl-a-Phenyl-4-piperidinemethanol HClphenyl(piperidin-4-yl)methanol(SALTDATA: FREE)

orb3026156SCHEMBL1405681SCHEMBL4676513phenyl-piperidine-4-yl-methanolCHEMBL4552066phenyl (piperidin-4-yl)methanolSCHEMBL280004634-(hydroxyphenylmethyl)piperidine

データベース識別子

CAS: 38081-60-6
PubChem CID: 339086
DTXSID: DTXSID70320762
ChEMBL: CHEMBL4552066
EC Number: 820-433-6
Nikkaji: J3.289.953F

物性

構造計算による物性

XLogP: 1.4
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: 2
重原子数: 14
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 166 · 166-167 °C
沸点: 332 · 332.0±22.0 °C(Predicted)
比重(密度): 1.068 · 1.068±0.06 g/cm3(Predicted)
貯蔵温度: Store at Room Tem.
酸解離定数(Pka): 14.13 · 14.13±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.