N-(3-methoxyphenyl)(tert-butoxy)carbohydrazide

• ChemBase编号: 163242
• 分子式: C12H18N2O3
• 平均质量: 238.28292
• 单一同位素质量: 238.13174245
• SMILES: c1ccc(cc1OC)N(N)C(=O)OC(C)(C)C
• Canonical SMILES: COc1cccc(c1)N(C(=O)OC(C)(C)C)N
• InChI: InChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)14(13)9-6-5-7-10(8-9)16-4/h5-8H,13H2,1-4H3
• InChIKey: FCLSOWMUJVJPRQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3-methoxyphenyl)(tert-butoxy)carbohydrazide
• IUPAC传统名: N-(3-methoxyphenyl)tert-butoxycarbohydrazide
• 别名: 1-(3-Methoxyphenyl)hydrazinecarboxylic Acid 1,1-Dimethylethyl Ester; N1-tert-Butoxycarbonyl 1-(3-Methoxyphenyl)hydrazine

登记号

• CAS号: 380383-81-3
• PubChem SID: 162257377
• PubChem CID: 68988342

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.0702763
• LogD (pH = 7.4): 2.070448
• Log P: 2.07045
• 摩尔折射率: 65.5167 cm^3
• 极化性: 25.373346 Å^3
• 极化表面积: 64.79 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate; Methanol
• 外观: Thick Orange Oil