[(4-methylphenyl)methyl]hydrazine hydrochloride

• ChemBase编号: 144172
• 分子式: C8H13ClN2
• 平均质量: 172.65522
• 单一同位素质量: 172.07672611
• SMILES: Cc1ccc(cc1)CNN.Cl
• Canonical SMILES: NNCc1ccc(cc1)C.Cl
• InChI: InChI=1S/C8H12N2.ClH/c1-7-2-4-8(5-3-7)6-10-9;/h2-5,10H,6,9H2,1H3;1H
• InChIKey: FZDQALMNASCCIY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(4-methylphenyl)methyl]hydrazine hydrochloride
• IUPAC传统名: [(4-methylphenyl)methyl]hydrazine hydrochloride
• 别名: (4-Methylbenzyl)hydrazine hydrochloride

登记号

• MDL号: MFCD01722429
• PubChem SID: 162238389
• PubChem CID: 50999447

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.2052066
• LogD (pH = 7.4): 1.4241337
• Log P: 1.4277803
• 摩尔折射率: 54.5495 cm^3
• 极化性: 16.817343 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

产品相关信息

• Empirical Formula (Hill Notation): C8H13ClN2

详细说明

Sigma Aldrich - CBR00829

Other Notes
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