2-N,2-N,6-trimethylpyridine-2,3-diamine

• ChemBase ID: 241763
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1(nc(ccc1N)C)N(C)C
• Canonical SMILES: Cc1ccc(c(n1)N(C)C)N
• InChI: InChI=1S/C8H13N3/c1-6-4-5-7(9)8(10-6)11(2)3/h4-5H,9H2,1-3H3
• InChIKey: TZMWSWHAIQULJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N,6-trimethylpyridine-2,3-diamine
• IUPAC Traditional name: 2-N,2-N,6-trimethylpyridine-2,3-diamine
• Synonyms: 2-N,2-N,6-trimethylpyridine-2,3-diamine

Database IDs

• MDL Number: MFCD14548255
• PubChem SID: 164297673
• PubChem CID: 57723346

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.98902386
• LogD (pH = 7.4): 0.31688985
• Log P: 0.76051897
• Molar Refractivity: 47.9351 cm^3
• Polarizability: 17.155392 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.531

Product Information

• Purity: 95%