3-呋喃基甲胺

1-(Furan-3-yl)methanamine

HCID 2776197CAS 4543-47-9

子结构检索查找相似结构

基本信息

标准SMILES: NCc1ccoc1
InChIKey: XNABHFLZYMCJHE-UHFFFAOYSA-N
分子式: C5H7NO
平均分子量: 97.12 g/mol
单同位素质量: 97.05276385

名称与标识

首选名称: 1-(Furan-3-yl)methanamine
IUPAC: furan-3-ylmethanamine
中文名: 3-呋喃基甲胺
英文名: 3-Furylmethylamine
分子式: C5H7NO
分子量: 97.12

名称与别名

1-(FURAN-3-YL)METHANAMINERefChem:427845800-812-2furan-3-ylmethanamine4543-47-93-FURYLMETHYLAMINE3-Furanmethanamine3-(Aminomethyl)furanMFCD02681983(furan-3-yl)methanamine3-furylmethanamine(Fur-3-yl)methylamine

展开更多名称

3-呋喃甲胺3-呋喃基甲胺呋喃-3-基甲胺3-(氨甲基)呋喃3-furanmethylamineRARECHEM AL BW 11821-furan-3-ylmethanamine

3-furfurylamine3-aminomethylfuran3-Furanmethylamine (8CI); 1-(Furan-3-yl)methanamine; 3-Aminomethylfuran; 3-Furfurylamine; Furan-3-ylmethanamine; [(Furan-3-yl)methyl]aminefuran-3-ylmethylamine3-Furylmethylamine, techSCHEMBL6565443-furylmethylamine, AldrichCPRorb3030355

数据库标识

CAS: 4543-47-9
PubChem CID: 2776197
DTXSID: DTXSID20379881
EC Number: 800-812-2
Nikkaji: J2.662.764H

性质

结构计算性质

XLogP: 0
极性表面积: 39.2 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 7
形式电荷: 0
复杂度: 56

物理化学性质

沸点: 52 · 52-54°C 15mm
密度: 1.053 · 1.053±0.06 g/cm3(Predicted)
储存条件: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解度: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
形态: Oil
酸度系数(pKa): 9.6 · 9.60±0.40(Predicted)
颜色: Yellow
InChI: InChI=1S/C5H7NO/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2
InChIKey: XNABHFLZYMCJHE-UHFFFAOYSA-N
SMILES: O1C=CC(CN)=C1

安全与法规

GHS分类

GHS Classification · 5 条

Danger

H301 (93%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (90.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 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.

危害信息

Hazard Classes and CategoriesAcute Tox. 3 (93%)；Eye Irrit. 2 (90.7%)

安全数据

hazard_note: Irritant
安全说明: 26-36/37/39-45
海关编码: 2932190090
危险品标志: C,Xi,T
危险类别码: 10-20/21/22-34-36-25
危险品运输编号: 2733

化学与工业

应用领域

用途3-呋喃基甲胺用作有机、医药中间体。

上下游产品信息

上游原料

试剂价格

CC02113CB · 250MG: 3-呋喃基甲胺3-furylmethylamine — 1140元
CC02113DA · 1GR: 3-呋喃基甲胺3-furylmethylamine — 3285元

供应商50 家

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

关联笔记

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