2-N,2-N-dimethylpyridine-2,6-diamine

• ChemBase ID: 249181
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(N(C)C)cccc1N
• Canonical SMILES: Nc1cccc(n1)N(C)C
• InChI: InChI=1S/C7H11N3/c1-10(2)7-5-3-4-6(8)9-7/h3-5H,1-2H3,(H2,8,9)
• InChIKey: QFUOHXVQTQKZRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-dimethylpyridine-2,6-diamine
• IUPAC Traditional name: 2-N,2-N-dimethylpyridine-2,6-diamine
• Synonyms: 2-N,2-N-dimethylpyridine-2,6-diamine

Database IDs

• MDL Number: MFCD18384418
• PubChem SID: 164305091
• PubChem CID: 22287845

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.72187144
• LogD (pH = 7.4): 0.22172059
• Log P: 1.2236063
• Molar Refractivity: 43.6571 cm^3
• Polarizability: 15.389718 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41 - 43°C
• Hydrophobicity(logP): 1.032

Product Information

• Purity: 95%