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

• ChemBase ID: 249245
• Molecular Formular: C8H12Cl2N2
• Molecular Mass: 207.10028
• Monoisotopic Mass: 206.03775375
• SMILES: c1(nccc(c1)CCl)N(C)C.Cl
• Canonical SMILES: ClCc1ccnc(c1)N(C)C.Cl
• InChI: InChI=1S/C8H11ClN2.ClH/c1-11(2)8-5-7(6-9)3-4-10-8;/h3-5H,6H2,1-2H3;1H
• InChIKey: COCNYDFLEGLASU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164305155
• PubChem CID: 71758697

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

Physical Property

• Hydrophobicity(logP): 1.921

Product Information

• Purity: 95%