2,3-dihydro-1H-inden-5-ylhydrazine hydrochloride

• ChemBase编号: 15544
• 分子式: C9H13ClN2
• 平均质量: 184.66592
• 单一同位素质量: 184.07672611
• SMILES: c1cc(cc2c1CCC2)NN.Cl
• Canonical SMILES: NNc1ccc2c(c1)CCC2.Cl
• InChI: InChI=1S/C9H12N2.ClH/c10-11-9-5-4-7-2-1-3-8(7)6-9;/h4-6,11H,1-3,10H2;1H
• InChIKey: QDTUDBCUGJLIFO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-dihydro-1H-inden-5-ylhydrazine hydrochloride
• IUPAC传统名: 2,3-dihydro-1H-inden-5-ylhydrazine hydrochloride
• 别名: 2,3-Dihydro-1H-inden-5-ylhydrazine hydrochloride; (2,3-Dihydro-1H-inden-5-yl)hydrazine hydrochloride

登记号

• MDL号: MFCD06800572
• PubChem SID: 160978851
• PubChem CID: 44119566

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.1170666
• LogD (pH = 7.4): 2.3682141
• Log P: 2.3725739
• 摩尔折射率: 48.6459 cm^3
• 极化性: 17.542814 Å^3
• 极化表面积: 38.05 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• Empirical Formula (Hill Notation): C9H13ClN2

详细说明

Sigma Aldrich - CBR00796

Other Notes
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