furan-2-ylmethanamine

• ChemBase编号: 80496
• 分子式: C5H7NO
• 平均质量: 97.11518
• 单一同位素质量: 97.05276385
• SMILES: o1c(ccc1)CN
• Canonical SMILES: NCc1ccco1
• InChI: InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
• InChIKey: DDRPCXLAQZKBJP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: furan-2-ylmethanamine
• IUPAC传统名: furfurylamine
• 别名: 2-氨甲基呋喃; 糠胺; (Fur-2-yl)methylamine; Furfurylamine; 2-(Aminomethyl)furan 99%; furan-2-ylmethanamine; 2-Aminomethylfuran; Furfurylamine; 2-Furanmethanamine; (2-Furanylmethyl)amine; (Furan-2-yl)methanamine; 2-(Aminomethyl)furan; 2-Furfurylamine; 2-Furylmethanamine; NSC 49136; NSC 61168; 2-Furfurylamine; FURFURYLAMINE; Furan-2-methylamine

登记号

• CAS号: 617-89-0
• EC号: 210-536-9
• MDL号: MFCD00003258
• Beilstein号: 1614
• PubChem SID: 24871746; 162067616; 24894804
• PubChem CID: 3438

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -2.2756886
• LogD (pH = 7.4): -0.5844974
• Log P: 0.1592609
• 摩尔折射率: 26.9223 cm^3
• 极化性: 10.554557 Å^3
• 极化表面积: 39.16 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Colorless Oil
• 熔点: -70 °C(lit.); -70°C; -70°C; -71 - -70°C
• 沸点: 145-146 °C(lit.); 145-146°C; 145-146°C
• 闪点: 37 °C; 37°C; 37°C(99°F); 98.6 °F
• 密度: 1.050; 1.099; 1.099 g/mL at 25 °C(lit.)
• 折射率: 1.49; 1.4900; n20/D 1.490(lit.)
• 蒸汽压: 4 mmHg ( 20 °C)
• 蒸汽密度: 3.35 (vs air)
• 疏水性(logP): 0.27

安全信息

• 保存条件: Refrigerator, Under Inert Atmosphere
• 保存注意事项: Air Sensitive; Flammable/Corrosive/Toxic/Air Sensitive/Store under Argon
• RTECS编号: LU9275000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 2526; UN2526
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 10-21/22-34; 10-22-23/24-34; R:10-34
• 安全公开号: 26-36/37/39-45; S:16-26-27/28-36/37/39-46-64
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06; GHS07
• GHS警示词: Danger
• GHS危险声明: H226-H302 + H312-H314; H301-H310-H330-H314-H318-H226
• GHS警示性声明: P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2526 3/PG 3

产品相关信息

• 纯度: ≥98.0% (GC); ≥99%; 95%; 99%
• 级别: purum
• Empirical Formula (Hill Notation): C5H7NO

详细说明

MP Biomedicals - 05215198

MP Biomedicals Rare Chemical collection

Sigma Aldrich - F20009

包装
5, 100, 500 g in glass bottle

Toronto Research Chemicals - F864260

2-Furfurylamine is used in the synthesis of 2-Amino-N-(2-furylmethyl)propanamide, as a novel alanylglycine equivalent synthesized by bacilysin synthetase.

参考文献

• Faber, K., et al.: Pure Appl. Chem., 69, 1613 (1967)
• Marahiel, M., et al.: Chem. Biol. 4, 561 (1967)
• Mah, R., et al.: Appl. Microbiol., 15, 866 (1967)