1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium hydrochloride chloride

• ChemBase编号: 104114
• 分子式: C14H20Cl2N4
• 平均质量: 315.2414
• 单一同位素质量: 314.10650202
• SMILES: Cl.[Cl-].CCCc1nc(N)c(C[n+]2c(C)cccc2)cn1
• Canonical SMILES: CCCc1ncc(c(n1)N)C[n+]1ccccc1C.Cl.[Cl-]
• InChI: InChI=1S/C14H19N4.2ClH/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2;;/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17);2*1H/q+1;;/p-1
• InChIKey: PJBQYZZKGNOKNJ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium hydrochloride chloride; 1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium chloride hydrochloride
• IUPAC传统名: 1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium hydrochloride chloride; 1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium chloride hydrochloride
• 别名: 1-([4-氨基-2-丙基-5-嘧啶基]甲基)-2-甲基吡啶氯化物; 氨丙啉 盐酸盐; Amprolium HCl; 1-([4-Amino-2-propyl-5-pyrimidinyl]methyl)-2-methylpyridinium chloride; Amprolium hydrochloride; 1-[(4-Amino-2-propyl-5-pyrimidinyl)-methyl]-2-methyl-pyridinium chloride; AMPROLIUM

登记号

• CAS号: 137-88-2
• EC号: 205-307-5
• MDL号: MFCD00078831
• Beilstein号: 4118699
• PubChem SID: 24869719; 24890432; 162091578
• PubChem CID: 8732

理论计算性质

• Acid pKa: 19.809544
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.530448
• LogD (pH = 7.4): -2.3120728
• Log P: -2.3084052
• 摩尔折射率: 75.0406 cm^3
• 极化性: 27.582539 Å^3
• 极化表面积: 55.68 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: TJ7565000
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 作用靶点: Others

产品相关信息

• 级别: VETRANAL™, analytical standard
• 成盐信息: HCl
• 简要说明: cationic
• 线性分子式: C14H19N4Cl · HCl

详细说明

MP Biomedicals - 02154779

(1-[(4-Amino-2-propyl-5-pyrimidinyl)- methyl]-2-methyl-pyridinium chloride) Hydrochloride

Sigma Aldrich - 31592

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 46062

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC