[(3-methoxyphenyl)methyl]hydrazine dihydrochloride

• ChemBase编号: 15015
• 分子式: C8H14Cl2N2O
• 平均质量: 225.11556
• 单一同位素质量: 224.04831844
• SMILES: c1cc(cc(c1)CNN)OC.Cl.Cl
• Canonical SMILES: NNCc1cccc(c1)OC.Cl.Cl
• InChI: InChI=1S/C8H12N2O.2ClH/c1-11-8-4-2-3-7(5-8)6-10-9;;/h2-5,10H,6,9H2,1H3;2*1H
• InChIKey: FBNBTWSJOGMIRI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(3-methoxyphenyl)methyl]hydrazine dihydrochloride
• IUPAC传统名: [(3-methoxyphenyl)methyl]hydrazine dihydrochloride
• 别名: 3-Methoxybenzylhydrazine dihydrochloride; 3-(Hydrazinomethyl)anisole dihydrochloride; 3-Hydrazinobenzyl methyl ether dihydrochloride; 3-(Hydrazinomethyl)phenyl methyl ether dihydrochloride

登记号

• CAS号: 849021-11-0; 85293-12-5
• MDL号: MFCD06245507
• PubChem SID: 160978322
• PubChem CID: 2760979

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.566569
• LogD (pH = 7.4): 0.7536938
• Log P: 0.7566876
• 摩尔折射率: 55.9715 cm^3
• 极化性: 17.539106 Å^3
• 极化表面积: 47.28 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 115-118°C; 116-118°C

安全信息

• 保存注意事项: IRRITANT; Irritant/Hygroscopic/Store under Argon
• TSCA收录: false

产品相关信息

• 纯度: 98%