[3-(diethylamino)propyl][(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine

• ChemBase编号: 35667
• 分子式: C18H31N3
• 平均质量: 289.45884
• 单一同位素质量: 289.25179801
• SMILES: c12N(CCCc1cc(cc2)CNCCCN(CC)CC)C
• Canonical SMILES: CCN(CCCNCc1ccc2c(c1)CCCN2C)CC
• InChI: InChI=1S/C18H31N3/c1-4-21(5-2)13-7-11-19-15-16-9-10-18-17(14-16)8-6-12-20(18)3/h9-10,14,19H,4-8,11-13,15H2,1-3H3
• InChIKey: XGGRJYIPNHRVSM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3-(diethylamino)propyl][(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine
• IUPAC传统名: [3-(diethylamino)propyl][(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amine
• 别名: N,N-Diethyl-N'-[(1-methyl-1,2,3,4-tetrahydro-quinolin-6-yl)methyl]propane-1,3-diamine

登记号

• MDL号: MFCD12027334
• PubChem SID: 160998974
• PubChem CID: 25219749

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.8757393
• LogD (pH = 7.4): -0.5900331
• Log P: 2.9163158
• 摩尔折射率: 94.0269 cm^3
• 极化性: 35.86436 Å^3
• 极化表面积: 18.51 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false