4-(hydrazinylmethyl)pyridine dihydrochloride

• ChemBase编号: 15017
• 分子式: C6H11Cl2N3
• 平均质量: 196.07764
• 单一同位素质量: 195.03300273
• SMILES: C(NN)c1ccncc1.Cl.Cl
• Canonical SMILES: NNCc1ccncc1.Cl.Cl
• InChI: InChI=1S/C6H9N3.2ClH/c7-9-5-6-1-3-8-4-2-6;;/h1-4,9H,5,7H2;2*1H
• InChIKey: OYPSNYWOQNBMLK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(hydrazinylmethyl)pyridine dihydrochloride
• IUPAC传统名: 4-(hydrazinylmethyl)pyridine dihydrochloride
• 别名: (4-Pyridylmethyl)hydrazine dihydrochloride; [(Pyridin-4-yl)methyl]hydrazine dihydrochloride; 4-(Hydrazinomethyl)pyridine dihydrochloride

登记号

• CAS号: 89598-56-1
• MDL号: MFCD06245508
• PubChem SID: 160978324
• PubChem CID: 2760983

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.4783251
• LogD (pH = 7.4): -0.30600125
• Log P: -0.30331358
• 摩尔折射率: 47.3514 cm^3
• 极化性: 14.121351 Å^3
• 极化表面积: 50.94 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: >155°C; >200(dec.)°C; 174 - 176°C
• 疏水性(logP): -0.793

安全信息

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

产品相关信息

• 纯度: 95%; 98%