[(3-methylphenyl)methyl]hydrazine hydrochloride

• ChemBase编号: 144139
• 分子式: C8H13ClN2
• 平均质量: 172.65522
• 单一同位素质量: 172.07672611
• SMILES: Cc1cccc(c1)CNN.Cl
• Canonical SMILES: NNCc1cccc(c1)C.Cl
• InChI: InChI=1S/C8H12N2.ClH/c1-7-3-2-4-8(5-7)6-10-9;/h2-5,10H,6,9H2,1H3;1H
• InChIKey: FYYVCWJSXXJWGH-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD07785901
• PubChem SID: 162238356
• PubChem CID: 50999444

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.2117198
• LogD (pH = 7.4): 1.4242685
• Log P: 1.4277803
• 摩尔折射率: 54.5495 cm^3
• 极化性: 16.81738 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

• 疏水性(logP): 1.203

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C8H13ClN2

详细说明

Sigma Aldrich - CBR00827

Other Notes
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