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

• ChemBase ID: 104114
• Molecular Formular: C14H20Cl2N4
• Molecular Mass: 315.2414
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 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 Traditional name: 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
• Synonyms: 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; 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

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 19.809544
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.530448
• LogD (pH = 7.4): -2.3120728
• Log P: -2.3084052
• Molar Refractivity: 75.0406 cm^3
• Polarizability: 27.582539 Å^3
• Polar Surface Area: 55.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: TJ7565000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Target: Others

Product Information

• Grade: VETRANAL™, analytical standard
• Salt Data: HCl
• Description: cationic
• Linear Formula: C14H19N4Cl · HCl

DETAILS

MP Biomedicals - 02154779

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

Sigma Aldrich - 31592

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 46062

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC