(4-methylphenyl)methanamine

• ChemBase编号: 69828
• 分子式: C8H11N
• 平均质量: 121.17964
• 单一同位素质量: 121.08914936
• SMILES: NCc1ccc(cc1)C
• Canonical SMILES: NCc1ccc(cc1)C
• InChI: InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3
• InChIKey: HMTSWYPNXFHGEP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-methylphenyl)methanamine
• IUPAC传统名: benzenemethanamine, 4-methyl-
• 别名: 对甲苄胺; 对甲基苄胺; 4-甲基苄胺; p-Xylylamine; 4-Methylbenzylamine; 4-Methylbenzylamine; ((4-Methylphenyl)methyl)amine; (4-Methylphenyl)methanamine; NSC 66562; p-Methylbenzylamine; p-Methylbenzenemethanamine; p-Tolylmethanamine

登记号

• CAS号: 104-84-7
• EC号: 203-243-2
• MDL号: MFCD00008123
• Beilstein号: 956670
• PubChem SID: 24896794; 162035553
• PubChem CID: 66035

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.3805113
• LogD (pH = 7.4): -0.48397714
• Log P: 1.6124357
• 摩尔折射率: 39.5726 cm^3
• 极化性: 15.514652 Å^3
• 极化表面积: 26.02 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

• 熔点: 12-13 °C(lit.); 12-13°C; 12-13°C
• 沸点: 195 °C(lit.); 195-197°C; 196-197°C
• 闪点: 176 °F; 75°C; 75°C(167°F); 80 °C
• 密度: 0.952 g/mL at 25 °C(lit.); 0.955
• 折射率: 1.535; 1.5350; n20/D 1.534(lit.); n20/D 1.536
• 转变温度: solidification point 12-15 °C(lit.)

安全信息

• 保存注意事项: Air Sensitive; Corrosive/Air Sensitive/Store under Argon; IRRITANT
• 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
• 安全公开号: 20-26-36/37/39-45-60; 26-36/37/39-45
• TSCA收录: false; 是
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318-H227
• GHS警示性声明: P210-P260-P303+P361+P353-P305+P351+P338-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: ≥97.0% (GC); 95%; 95+%; 97%; 98%
• 级别: purum
• 线性分子式: CH3C6H4CH2NH2

详细说明

Sigma Aldrich - M31201

包装
25, 100 g in glass bottle

Toronto Research Chemicals - M289015

4-Methylbenzylamine is a methylated benzylamine used in the preparation of various bioactive compounds such as anticonvulsants. 4-Methylbenzylamine has been shown to stimulate food consumption and counteract the hypophagic effects of amphetamine acting on

参考文献

• Pirisino, R. et al.: Br. J. Pharmacol., 147, 218 (2006)
• Raimondi, L. et al.: Inflammopharmacology, 11, 189 (2006)
• Obniska, J. et al.: Farmaco, 60, 529 (2006)