2-(hydrazinylmethyl)-N,N-dimethylaniline dihydrochloride

• ChemBase编号: 15021
• 分子式: C9H17Cl2N3
• 平均质量: 238.15738
• 单一同位素质量: 237.07995292
• SMILES: c1ccc(c(c1)CNN)N(C)C.Cl.Cl
• Canonical SMILES: NNCc1ccccc1N(C)C.Cl.Cl
• InChI: InChI=1S/C9H15N3.2ClH/c1-12(2)9-6-4-3-5-8(9)7-11-10;;/h3-6,11H,7,10H2,1-2H3;2*1H
• InChIKey: QSZBUWBTFCPAJJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(hydrazinylmethyl)-N,N-dimethylaniline dihydrochloride
• IUPAC传统名: 2-(hydrazinylmethyl)-N,N-dimethylaniline dihydrochloride
• 别名: 2-Dimethylaminobenzylhydrazine dihydrochloride; N,N-Dimethyl-2-(hydrazinomethyl)aniline dihydrochloride; 2-(Dimethylamino)benzylhydrazine dihydrochloride

登记号

• CAS号: 849021-12-1
• MDL号: MFCD06245511
• PubChem SID: 160978328
• PubChem CID: 2760987

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.8200375
• LogD (pH = 7.4): 1.0191976
• Log P: 1.0224026
• 摩尔折射率: 63.9369 cm^3
• 极化性: 19.860262 Å^3
• 极化表面积: 41.29 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: >165°C

安全信息

• 保存注意事项: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 98%