N-(p-メトキシベンジル)ピリジン-2-アミン

N-(4-Methoxybenzyl)pyridin-2-amine

HCID 97452CAS 52818-63-0

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1ccc(CNc2ccccn2)cc1
InChIKey: SMJGJENXFSWIMQ-UHFFFAOYSA-N
分子式: C13H14N2O
平均分子量: 214.26 g/mol
単同位体質量: 214.11061307

名称と識別子

優先名称: N-(4-Methoxybenzyl)pyridin-2-amine
IUPAC: N-[(4-methoxyphenyl)methyl]pyridin-2-amine
現地名: N-(p-メトキシベンジル)ピリジン-2-アミン
英語名: 2-(4-Methoxybenzylamino)pyridine
分子式: C13H14N2O
分子量: 214.26

名称と別名

52818-63-0N-(4-methoxybenzyl)pyridin-2-aminep-Anisyl(2-pyridyl)amineV4N1TI20XXN-[(4-Methoxyphenyl)methyl]-2-pyridinamineEINECS 258-202-1UNII-V4N1TI20XXNSC-1241382-(p-methoxybenzylamino)pyridine2-Pyridinamine, N-((4-methoxyphenyl)methyl)-DTXSID70200797MEPYRAMINE MALEATE IMPURITY A

名称をさらに表示

N-(4-メトキシベンジル)ピリジン-2-アミン2-(4-メトキシベンジルアミノ)ピリジンN-(p-メトキシベンジル)ピリジン-2-アミンN-[(4-メトキシフェニル)メチル]-2-ピリジンアミンN-(2-ピリジニル)-4-メトキシベンゼンメタンアミンN-[(4-メトキシフェニル)メチル]ピリジン-2-アミン4-メトキシベンジル2-ピリジニルアミンMEPYRAMINE IMP AMepyramine Impurity 1Mepyramine EP Impurity A2-(P-METHOXYBENZYL)AMINOPYRIDINEMepyramine Maleate EP Impurity A2-(P-METHOXYBENZYL)AMINOPYRIMIDINE

SKF-47437NSC 124138N-((4-METHOXYPHENYL)METHYL)-2-PYRIDINAMINERefChem:202013DTXCID001232882-(4-Methoxybenzylamino)pyridineN-[(4-methoxyphenyl)methyl]pyridin-2-amineMFCD00006252

データベース識別子

CAS: 52818-63-0
PubChem CID: 97452
DTXSID: DTXSID70200797
UNII: V4N1TI20XX
EC Number: 258-202-1
Nikkaji: J62.787I

物性

構造計算による物性

XLogP: 2.6
極性表面積: 34.2 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: 4
重原子数: 16
形式電荷: 0
複雑度: 190

物理化学的性質

融点: 121 · 121-126 °C
沸点: 354.4 °C · 354.4°C (rough estimate)
比重(密度): 1.085 · 1.0850 (rough estimate)
屈折率: 1.645 · 1.6450 (estimate)
貯蔵温度: 2 · Keep in dark place,Sealed in dry,2-8°C
酸解離定数(Pka): 6.28 · 6.28±0.10(Predicted)
主な用途: 医薬品（低分子化合物）
InChI: 1S/C13H14N2O/c1-16-12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15)
InChIKey: SMJGJENXFSWIMQ-UHFFFAOYSA-N
SMILES: N(Cc2ccc(cc2)OC)c1ncccc1

化学的性質

化学的特性white to yellow powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): 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+P354+P338, P317, P319, P321, P330, P332+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.；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. 4 (100%)；Skin Irrit. 2 (50%)；Eye Dam. 1 (50%)；STOT SE 3 (50%)

安全データ

hs_code: 29333999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT

化学と産業

応用分野

使用N-[(4-Methoxyphenyl)methyl]-2-pyridinamine was used in the study of synthesis and microbiology evaluations of (N-heteroaryl)arylmethanamines and their Schiff bases.

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