2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine

• ChemBase ID: 259233
• Molecular Formular: C8H13N3O
• Molecular Mass: 167.20832
• Monoisotopic Mass: 167.10586205
• SMILES: c1(c(N(C)C)ccnc1OC)N
• Canonical SMILES: COc1nccc(c1N)N(C)C
• InChI: InChI=1S/C8H13N3O/c1-11(2)6-4-5-10-8(12-3)7(6)9/h4-5H,9H2,1-3H3
• InChIKey: CEBYCEZLJOQVNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
• IUPAC Traditional name: 2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
• Synonyms: 2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine

Database IDs

• MDL Number: MFCD11857993
• PubChem SID: 164315143
• PubChem CID: 39871043

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.72908264
• LogD (pH = 7.4): 0.33559215
• Log P: 0.47147757
• Molar Refractivity: 49.8068 cm^3
• Polarizability: 17.915829 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.876

Product Information

• Purity: 95%