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

• ChemBase ID: 282522
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: n1c(N(C)C)cccc1CCl
• Canonical SMILES: ClCc1cccc(n1)N(C)C
• InChI: InChI=1S/C8H11ClN2/c1-11(2)8-5-3-4-7(6-9)10-8/h3-5H,6H2,1-2H3
• InChIKey: LECLZVYANMESOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(chloromethyl)-N,N-dimethylpyridin-2-amine
• IUPAC Traditional name: 6-(chloromethyl)-N,N-dimethylpyridin-2-amine
• Synonyms: 6-(chloromethyl)-N,N-dimethylpyridin-2-amine

Database IDs

• CAS Number: 405103-62-0
• MDL Number: MFCD10697582
• PubChem SID: 180668053
• PubChem CID: 17854373

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8037751
• LogD (pH = 7.4): 2.1207216
• Log P: 2.1267889
• Molar Refractivity: 47.9879 cm^3
• Polarizability: 17.910572 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.921

Product Information

• Purity: 95%; 98%