CAS 37581-26-3 4-((4-Methoxyphenyl)methyl)piperidine (HCID 3732740)

基本情報

CAS: 37581-26-3
標準SMILES: COc1ccc(CC2CCNCC2)cc1
InChIKey: LPFCHIMEOSLIGN-UHFFFAOYSA-N
分子式: C13H19NO
平均分子量: 205.3 g/mol
単同位体質量: 205.14666423

名称と識別子

優先名称: 4-((4-Methoxyphenyl)methyl)piperidine
IUPAC: 4-[(4-methoxyphenyl)methyl]piperidine
現地名: 4-(4-メトキシベンジル)ピペリジン
英語名: 4-(4-Methoxy-benzyl)-piperidine
分子式: C13H19NO
分子量: 205.3

名称と別名

4-[(4-methoxyphenyl)methyl]piperidine4-((4-Methoxyphenyl)methyl)piperidineRefChem:509521830-738-637581-26-34-(4-Methoxy-benzyl)-piperidine4-(4-methoxybenzyl)piperidineMFCD058635714-(4-Methoxybenzyl)-piperidineSCHEMBL3155613SCHEMBL3964389DTXSID10395671

名称をさらに表示

4-(4-メトキシベンジル)ピペリジン4-[(4-メトキシフェニル)メチル]ピペリジンOTAVA-BB 1043259Piperidine, 4-[(4-methoxyphenyl)methyl]-

LPFCHIMEOSLIGN-UHFFFAOYSA-NAKOS009157497AB22529DB-069568EN300-62082AR-527/43467596Z969111180

データベース識別子

CAS: 37581-26-3
PubChem CID: 3732740
DTXSID: DTXSID10395671
EC Number: 830-738-6
Nikkaji: J2.122.607F

物性

構造計算による物性

XLogP: 2.5
極性表面積: 21.3 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: 3
重原子数: 15
形式電荷: 0
複雑度: 169

物理化学的性質

沸点: 323.1 · 323.1±22.0 °C(Predicted)
比重(密度): 1.002 · 1.002±0.06 g/cm3(Predicted)
酸解離定数(Pka): 10.59 · 10.59±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.