(2-methoxyphenyl)methanamine

• ChemBase编号: 89451
• 分子式: C8H11NO
• 平均质量: 137.17904
• 单一同位素质量: 137.08406398
• SMILES: NCc1c(cccc1)OC
• Canonical SMILES: COc1ccccc1CN
• InChI: InChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3
• InChIKey: PXJACNDVRNAFHD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-methoxyphenyl)methanamine
• IUPAC传统名: 2-methoxy-benzylamine
• 别名: 2-甲氧基苄胺; 2-甲氧基苯甲基胺; (2-methoxyphenyl)methanamine; (2-Methoxyphenyl)methanamine; (o-Anisylmethyl)amine; 1-(2-Methoxyphenyl)methanamine; 1-[2-(Methyloxy)phenyl]methanamine; 2-Methoxybenzenemethanamine; 2-Methoxyphenylmethylamine; o-Methoxybenzenemethanamine; o-Methoxybenzylamine; 2-Methoxybenzylamine; 2-Methoxybenzylamine; (2-Methoxyphenyl)methylamine; 2-(Aminomethyl)anisole; 2-Methoxybenzylamine 97%

登记号

• CAS号: 6850-57-3
• EC号: 229-941-7
• MDL号: MFCD00008110
• Beilstein号: 1100448
• PubChem SID: 24883592; 162076331; 24849838
• PubChem CID: 81292

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.9545962
• LogD (pH = 7.4): -0.6185997
• Log P: 0.941343
• 摩尔折射率: 40.9946 cm^3
• 极化性: 16.221045 Å^3
• 极化表面积: 35.25 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 227 °C/724 mmHg(lit.); 228-229°C; 228-229°C
• 闪点: 100 °C; 100°C; 100°C(212°F); 212 °F
• 密度: 1.051 g/mL at 25 °C(lit.); 1.057
• 折射率: 1.5480; n20/D 1.548; n20/D 1.548(lit.)

安全信息

• 保存注意事项: Air Sensitive; Corrosive/Irritant/Air Sensitive/Store under Argon
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2735; UN2735
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 34; 34-37
• 安全公开号: 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-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 2735 8/PG 2

产品相关信息

• 纯度: ≥95.0% (GC); 98%; 98+%
• 级别: purum
• 线性分子式: CH3OC6H4CH2NH2

详细说明

Sigma Aldrich - 159883

包装
5, 25 g in glass bottle

Toronto Research Chemicals - M261040

2-Methoxybenzylamine is a 2-methoxy derivative of benzylamine. 2-Methoxybenzylamine is one the the metabolites detected in urine after metabolism of dopamine analogues. 2-Methoxybenzylamine is used in the preparation of GABAA receptor ligands as analgesic

参考文献

• Goodwin, B.L. et al.: Xenobiotica, 24, 129 (1994)
• Guerrini, G. et al.: Biiorg. Med. Chem., 19, 7441 (1994)