2-(5-メチル-2-フリル)エタンアミン

2-(5-Methylfuran-2-yl)ethan-1-amine

HCID 14933778

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 30796-85-1
標準SMILES: Cc1ccc(CCN)o1
InChIKey: KOFWQYALAZVVGL-UHFFFAOYSA-N
分子式: C7H11NO
平均分子量: 125.17 g/mol
単同位体質量: 125.08406397

名称と識別子

優先名称: 2-(5-Methylfuran-2-yl)ethan-1-amine
IUPAC: 2-(5-methylfuran-2-yl)ethanamine
現地名: 2-(5-メチル-2-フリル)エタンアミン
英語名: 2-(5-methyl-2-furyl)ethanamine
分子式: C7H11NO
分子量: 125.17

名称と別名

30796-85-12-(5-Methylfuran-2-yl)ethan-1-amine5-Methyl-2-furanethanamineDTXSID20565686RefChem:458955DTXCID30516462803-413-12-(5-methyl-2-furyl)ethanamine2-(5-Methylfuran-2-yl)ethanamineMFCD080597672-Furanethanamine, 5-methyl-5-Methyl-2-furanethanamine; 2-(5-Methylfuran-2-yl)ethan-1-amine; 2-(5-Methylfuran-2-yl)ethanamine; 2-(5-Methylfuran-2-yl)ethylamine; beta-(5-Methyl-2-furanyl)ethanamine;

名称をさらに表示

2-(5-メチル-2-フリル)エタンアミンAKOS ISYA011612-(5-methyl-2-furyl)ethanamine(SALTDATA: FREE)

2-methyl-5-aminoethylfuranSCHEMBL1868584KOFWQYALAZVVGL-UHFFFAOYSA-N2-(5-Methylfuran-2-yl)ethylamineFBA79685beta-(5-methyl-2-furanyl)ethanamine2-(5-Methyl-furan-2-yl)-ethylamineAKOS000154866

データベース識別子

CAS: 30796-85-1
PubChem CID: 14933778
DTXSID: DTXSID20565686
EC Number: 803-413-1

物性

構造計算による物性

XLogP: 0.7
極性表面積: 39.2 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: 2
重原子数: 9
形式電荷: 0
複雑度: 85

物理化学的性質

貯蔵温度: Refrigerator, Under inert atmosphere
溶解性: クロロホルム（少量）、メタノール（少量）
外見: 油
色: 薄黄色～黄色

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (95%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95%): 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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 CategoriesSkin Irrit. 2 (95%)；Eye Irrit. 2 (95%)；STOT SE 3 (100%)

安全データ

hs_code: 2932190090

化学と産業

応用分野

使用2-(5-Methyl-2-furyl)ethanamine can be used as diarylurea-based cannabinoid 1 receptor (CB1R) allosteric modulators with improved potencies and pharmacokinetic properties.