2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride

• ChemBase ID: 286710
• Molecular Formular: C11H17Cl2NO2
• Molecular Mass: 266.16418
• Monoisotopic Mass: 265.06363415
• SMILES: Cc1c(OCCCOC)ccnc1CCl.Cl
• Canonical SMILES: Cc1c(OCCCOC)ccnc1CCl.Cl
• InChI: InChI=1S/C11H16ClNO2.ClH/c1-9-10(8-12)13-5-4-11(9)15-7-3-6-14-2;/h4-5H,3,6-8H2,1-2H3;1H
• InChIKey: MNVYUQSFAJMSCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride
• IUPAC Traditional name: 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride
• Synonyms: 2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride

Database IDs

• CAS Number: 153259-31-5
• MDL Number: MFCD06658231
• PubChem SID: 180672241
• PubChem CID: 18792742

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1999302
• LogD (pH = 7.4): 1.7755371
• Log P: 1.7930217
• Molar Refractivity: 60.6591 cm^3
• Polarizability: 23.60696 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%