N-amino-1-3-(3,4-dimethylphenyl)carbamimidamidomethanimidamide hydrochloride

• ChemBase编号: 44256
• 分子式: C10H17ClN6
• 平均质量: 256.73518
• 单一同位素质量: 256.12032225
• SMILES: c1(c(cc(cc1)NC(=N)NC(=N)NN)C)C.Cl
• Canonical SMILES: NNC(=N)NC(=N)Nc1ccc(c(c1)C)C.Cl
• InChI: InChI=1S/C10H16N6.ClH/c1-6-3-4-8(5-7(6)2)14-9(11)15-10(12)16-13;/h3-5H,13H2,1-2H3,(H5,11,12,14,15,16);1H
• InChIKey: CRUFRHCCSKBUSH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-amino-1-3-(3,4-dimethylphenyl)carbamimidamidomethanimidamide hydrochloride
• IUPAC传统名: N-amino-1-3-(3,4-dimethylphenyl)carbamimidamidomethanimidamide hydrochloride
• 别名: N-(3,4-Dimethylphenyl)-N'-[hydrazino(imino)-methyl]guanidine hydrochloride; N-(3,4-dimethylphenyl)-N'-[hydrazino(imino)methyl]guanidine hydrochloride; N-(3,4-Dimethylphenyl)-N'-[hydrazino(imino)methyl]guanidine hydrochloride; N'-Amino-N-(3,4-dimethylphenyl)biguanidine hydrochloride

登记号

• MDL号: MFCD09027118
• PubChem SID: 162049019
• PubChem CID: 24213872

理论计算性质

• 质子受体: 6
• 质子供体: 6
• LogD (pH = 5.5): -3.02752
• LogD (pH = 7.4): -1.296826
• Log P: 1.5212635
• 摩尔折射率: 97.9657 cm^3
• 极化性: 23.828644 Å^3
• 极化表面积: 109.81 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: >95%