N-butyl-6-chloro-N-methylpyridin-2-amine

• ChemBase ID: 48679
• Molecular Formular: C10H15ClN2
• Molecular Mass: 198.6925
• Monoisotopic Mass: 198.09237617
• SMILES: n1c(N(CCCC)C)cccc1Cl
• Canonical SMILES: CN(c1cccc(n1)Cl)CCCC
• InChI: InChI=1S/C10H15ClN2/c1-3-4-8-13(2)10-7-5-6-9(11)12-10/h5-7H,3-4,8H2,1-2H3
• InChIKey: WZZJLWWAYDCWQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-6-chloro-N-methylpyridin-2-amine
• IUPAC Traditional name: N-butyl-6-chloro-N-methylpyridin-2-amine
• Synonyms: N-Butyl-6-chloro-N-methyl-2-pyridinamine

Database IDs

• MDL Number: MFCD13561953
• PubChem SID: 162053442
• PubChem CID: 53410845

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6057074
• LogD (pH = 7.4): 3.6061895
• Log P: 3.6061957
• Molar Refractivity: 58.3829 cm^3
• Polarizability: 21.702482 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false