1-methylguanidine hydrochloride

• ChemBase编号: 70613
• 分子式: C2H8ClN3
• 平均质量: 109.55802
• 单一同位素质量: 109.04067495
• SMILES: N(C(=N)N)C.Cl
• Canonical SMILES: CNC(=N)N.Cl
• InChI: InChI=1S/C2H7N3.ClH/c1-5-2(3)4;/h1H3,(H4,3,4,5);1H
• InChIKey: VJQCNCOGZPSOQZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methylguanidine hydrochloride
• IUPAC传统名: methylguanidine hydrochloride
• 别名: 甲基胍 盐酸盐; 1-Methylguanidine hydrochloride; Methylguanidine hydrochloride; N-Methylguanidine monohydrochloride; Methylguanidinium Chloride; N-Methylguanidine Hydrochloride; METHYLGUANIDINE

登记号

• CAS号: 22661-87-6; 21770-81-0
• EC号: 245-147-3
• MDL号: MFCD00012576
• PubChem SID: 162036328; 24853329
• PubChem CID: 146724

理论计算性质

• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -3.3746824
• LogD (pH = 7.4): -3.3742156
• Log P: -0.9592296
• 摩尔折射率: 30.6334 cm^3
• 极化性: 7.4338884 Å^3
• 极化表面积: 61.9 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: White Solid
• 熔点: 118-124°C; 121-124°C

安全信息

• 保存条件: 0°C; Refrigerator
• 保存注意事项: IRRITANT
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38
• 安全公开号: 26-36/37
• TSCA收录: false
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 95+%; 98%
• 线性分子式: CH3NHC(=NH)NH2·HCl

详细说明

MP Biomedicals - 02155561

Hydrochloride Crystalline

Sigma Aldrich - 222402

包装
1, 5 g in glass bottle

Toronto Research Chemicals - M311776

N-Methylguanidine is an alkylated guanidine which shows inhibitory action against trypsin catalysis. N-Methylguanidine inhibited metabolism of certain hepatic drugs that was mediated by cytochrome P 450 protein in human liver microsome and hepatocyte.

参考文献

• Inagami, T. et al.: Biochemistry, 7, 4045 (1968)
• Hanada, K. et al.: Nephron, 103, 179 (1968)