4-chloro-N,N-dimethylpyridin-2-amine

• ChemBase ID: 286364
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: c1(cc(ccn1)Cl)N(C)C
• Canonical SMILES: CN(c1nccc(c1)Cl)C
• InChI: InChI=1S/C7H9ClN2/c1-10(2)7-5-6(8)3-4-9-7/h3-5H,1-2H3
• InChIKey: KYBFYCQUKSEXOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N,N-dimethylpyridin-2-amine
• IUPAC Traditional name: 4-chloro-N,N-dimethylpyridin-2-amine
• Synonyms: 4-chloro-N,N-dimethylpyridin-2-amine; (4-CHLORO-PYRIDIN-2-YL)-DIMETHYL-AMINE

Database IDs

• CAS Number: 735255-56-8
• MDL Number: MFCD09031036
• PubChem SID: 180671895
• PubChem CID: 12175135

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8329976
• LogD (pH = 7.4): 2.0582488
• Log P: 2.0621195
• Molar Refractivity: 43.448 cm^3
• Polarizability: 16.12736 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36 - 38°C
• Hydrophobicity(logP): 2.157

Product Information

• Purity: 95%; 98%