CAS 122893-33-8 (4-(2-(Pyrrolidin-1-yl)ethoxy)phenyl)methanamine (HCID 14425929)

基本情報

CAS: 122893-33-8
標準SMILES: NCc1ccc(OCCN2CCCC2)cc1
InChIKey: MZTRPMDTKZJSDX-UHFFFAOYSA-N
分子式: C13H20N2O
平均分子量: 220.31 g/mol
単同位体質量: 220.15756326

名称と識別子

優先名称: (4-(2-(Pyrrolidin-1-yl)ethoxy)phenyl)methanamine
IUPAC: [4-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine

名称と別名

{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}methanamine(4-(2-(Pyrrolidin-1-yl)ethoxy)phenyl)methanamine(4-[2-(Pyrrolidin-1-yl)ethoxy]phenyl)methanamineRefChem:402018839-516-3122893-33-8[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanamineBenzenemethanamine, 4-[2-(1-pyrrolidinyl)ethoxy]-4-(2-Pyrrolidin-1-yl-ethoxy)-benzylamine1-{4-[2-(Pyrrolidin-1-yl)ethoxy]phenyl}methanamineSCHEMBL6947417DTXSID00560154

名称をさらに表示

MZTRPMDTKZJSDX-UHFFFAOYSA-NXEA89333SBB085521AKOS0003188514-[2-(1-pyrrolidinyl)ethoxy]benzylamine[4-(2-pyrrolidinylethoxy)phenyl]methylamine4-[2-(1-Pyrrolidinyl)ethoxy]benzyl AmineCS-0259912

データベース識別子

CAS: 122893-33-8
PubChem CID: 14425929
DTXSID: DTXSID00560154
EC Number: 839-516-3
Nikkaji: J458.855J

物性

構造計算による物性

XLogP: 1.3
極性表面積: 38.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 16
形式電荷: 0
複雑度: 184

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.