[(3-chlorophenyl)methyl]hydrazine hydrochloride

• ChemBase编号: 144137
• 分子式: C7H10Cl2N2
• 平均质量: 193.0737
• 单一同位素质量: 192.02210369
• SMILES: c1cc(cc(c1)Cl)CNN.Cl
• Canonical SMILES: NNCc1cccc(c1)Cl.Cl
• InChI: InChI=1S/C7H9ClN2.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4,10H,5,9H2;1H
• InChIKey: CFIYHIGETXHGFM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(3-chlorophenyl)methyl]hydrazine hydrochloride
• IUPAC传统名: [(3-chlorophenyl)methyl]hydrazine hydrochloride
• 别名: (3-Chlorobenzyl)hydrazine hydrochloride; [(3-chlorophenyl)methyl]hydrazine hydrochloride

登记号

• MDL号: MFCD13186199
• PubChem SID: 162238354
• PubChem CID: 17903314

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.3303031
• LogD (pH = 7.4): 1.5154488
• Log P: 1.5184035
• 摩尔折射率: 54.3131 cm^3
• 极化性: 16.87807 Å^3
• 极化表面积: 38.05 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: 153 - 155°C
• 疏水性(logP): 1.417

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C7H10Cl2N2

详细说明

Sigma Aldrich - CBR00830

Other Notes
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