6-chloro-N,N-dimethylpyridin-2-amine

• ChemBase ID: 48672
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: n1c(N(C)C)cccc1Cl
• Canonical SMILES: Clc1cccc(n1)N(C)C
• InChI: InChI=1S/C7H9ClN2/c1-10(2)7-5-3-4-6(8)9-7/h3-5H,1-2H3
• InChIKey: AFMVRODDQDUXCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-dimethylpyridin-2-amine
• IUPAC Traditional name: 6-chloro-N,N-dimethylpyridin-2-amine
• Synonyms: N-(6-Chloro-2-pyridinyl)-N,N-dimethylamine; 6-chloro-N,N-dimethylpyridin-2-amine

Database IDs

• CAS Number: 1060801-42-4
• MDL Number: MFCD13188973
• PubChem SID: 162053435
• PubChem CID: 20649114

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2817674
• LogD (pH = 7.4): 2.28229
• Log P: 2.2822967
• Molar Refractivity: 44.5093 cm^3
• Polarizability: 16.18581 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%