4-[3-chloro-5-(1-methylhydrazin-1-yl)-2,6-dinitrophenyl]morpholine

• ChemBase编号: 81270
• 分子式: C11H14ClN5O5
• 平均质量: 331.71236
• 单一同位素质量: 331.06834625
• SMILES: [N+](=O)(c1c(cc(c(c1N1CCOCC1)[N+](=O)[O-])Cl)N(N)C)[O-]
• Canonical SMILES: CN(c1cc(Cl)c(c(c1[N+](=O)[O-])N1CCOCC1)[N+](=O)[O-])N
• InChI: InChI=1S/C11H14ClN5O5/c1-14(13)8-6-7(12)9(16(18)19)11(10(8)17(20)21)15-2-4-22-5-3-15/h6H,2-5,13H2,1H3
• InChIKey: KSNLWHJJEMSJIP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[3-chloro-5-(1-methylhydrazin-1-yl)-2,6-dinitrophenyl]morpholine
• IUPAC传统名: 4-[3-chloro-5-(1-methylhydrazin-1-yl)-2,6-dinitrophenyl]morpholine
• 别名: 4-[3-chloro-5-(1-methylhydrazino)-2,6-dinitrophenyl]morpholine

登记号

• MDL号: MFCD01566239
• PubChem SID: 162068389
• PubChem CID: 2777142

理论计算性质

• 质子受体: 8
• 质子供体: 1
• LogD (pH = 5.5): 1.6650286
• LogD (pH = 7.4): 1.7836186
• Log P: 1.785361
• 摩尔折射率: 92.5273 cm^3
• 极化性: 29.142202 Å^3
• 极化表面积: 133.37 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true