1-(4-methylphenyl)cyclopropan-1-amine hydrochloride

• ChemBase编号: 143938
• 分子式: C10H14ClN
• 平均质量: 183.67786
• 单一同位素质量: 183.08147713
• SMILES: Cc1ccc(cc1)C1(CC1)N.Cl
• Canonical SMILES: NC1(CC1)c1ccc(cc1)C.Cl
• InChI: InChI=1S/C10H13N.ClH/c1-8-2-4-9(5-3-8)10(11)6-7-10;/h2-5H,6-7,11H2,1H3;1H
• InChIKey: ZMRUXYGZNOWNHA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(4-methylphenyl)cyclopropan-1-amine hydrochloride
• IUPAC传统名: 1-(4-methylphenyl)cyclopropan-1-amine hydrochloride
• 别名: 1-(4-Methylphenyl)cyclopropanamine hydrochloride; 1-p-Tolyl-cyclopropylamine hydrochloride

登记号

• CAS号: 1134834-95-9
• MDL号: MFCD07995725
• PubChem SID: 162238155
• PubChem CID: 24206581

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.998378
• LogD (pH = 7.4): -0.17224844
• Log P: 2.0017688
• 摩尔折射率: 46.6734 cm^3
• 极化性: 18.461222 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 96%
• Empirical Formula (Hill Notation): C10H14ClN

详细说明

Sigma Aldrich - CBR00914

Other Notes
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