1-(2-Methylfuran-3-yl)methanamine

HCID 18525866

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 35801-15-1
標準SMILES: Cc1occc1CN
InChIKey: JBJAKJOQAZHEJQ-UHFFFAOYSA-N
分子式: C6H9NO
平均分子量: 111.14 g/mol
単同位体質量: 111.06841391

概要

(2-Methyl-3-furyl)methylamine is an aralkylamine.

名称と識別子

優先名称: 1-(2-Methylfuran-3-yl)methanamine
IUPAC: (2-methylfuran-3-yl)methanamine
英語名: (2-Methyl-3-furyl)methylamine
分子式: C6H9NO
分子量: 111.14

名称と別名

35801-15-11-(2-Methylfuran-3-yl)methanamineDTXSID20594618RefChem:223734DTXCID60545381689-281-4(2-methylfuran-3-yl)methanamine(2-methyl-3-furyl)methylamineC-(2-Methyl-furan-3-yl)-methylamineMFCD08435914(2-methyl-3-furyl)methanamineSCHEMBL702163

名称をさらに表示

Compound Fr145551-(2-Methylfuran-3-yl)methanamine - [M92796]

3-Furanmethanamine, 2-methyl-orb3170254(2-methyluran-3-yl)methanamineCHEMBL4521494SCHEMBL17956866CHEBI:194968JBJAKJOQAZHEJQ-UHFFFAOYSA-N(2-Methyl-furan-3-yl)methylamine

データベース識別子

CAS: 35801-15-1
PubChem CID: 18525866
DTXSID: DTXSID20594618
ChEMBL: CHEMBL4521494
ChEBI: CHEBI:194968
EC Number: 108-513-2、689-281-4

物性

構造計算による物性

XLogP: 0.2
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: 1
重原子数: 8
形式電荷: 0
複雑度: 74.9

物理化学的性質

沸点: 159.9 · 159.9±25.0 °C(Predicted)
比重(密度): 1.024 · 1.024±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 9.12 · 9.12±0.29(Predicted)
外見: solid
InChI: 1S/C6H9NO/c1-5-6(4-7)2-3-8-5/h2-3H,4,7H2,1H3
InChIKey: JBJAKJOQAZHEJQ-UHFFFAOYSA-N
SMILES: Cc1occc1CN

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, 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.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

安全データ

wgk: WGK 3
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

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杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]

化合物ノート

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