4-(chloromethyl)-N,N-dimethylpyridin-2-amine

• ChemBase ID: 802131
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: n1c(cc(cc1)CCl)N(C)C
• Canonical SMILES: ClCc1ccnc(c1)N(C)C
• InChI: InChI=1S/C8H11ClN2/c1-11(2)8-5-7(6-9)3-4-10-8/h3-5H,6H2,1-2H3
• InChIKey: LEFNGSBLOOSIRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chloromethyl)-N,N-dimethylpyridin-2-amine
• IUPAC Traditional name: 4-(chloromethyl)-N,N-dimethylpyridin-2-amine
• Synonyms: 4-(CHLOROMETHYL)-N,N-DIMETHYLPYRIDIN-2-AMINE

Database IDs

• CAS Number: 864461-14-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1864239
• LogD (pH = 7.4): 2.0044637
• Log P: 2.045317
• Molar Refractivity: 48.5101 cm^3
• Polarizability: 17.909042 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%