3,5-dimethoxybenzene-1,2-diamine

• ChemBase ID: 247886
• Molecular Formular: C8H12N2O2
• Molecular Mass: 168.19308
• Monoisotopic Mass: 168.08987763
• SMILES: c1(c(cc(cc1OC)OC)N)N
• Canonical SMILES: COc1cc(OC)c(c(c1)N)N
• InChI: InChI=1S/C8H12N2O2/c1-11-5-3-6(9)8(10)7(4-5)12-2/h3-4H,9-10H2,1-2H3
• InChIKey: ZFAAJSYHBXBLJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethoxybenzene-1,2-diamine
• IUPAC Traditional name: 3,5-dimethoxybenzene-1,2-diamine
• Synonyms: 3,5-dimethoxybenzene-1,2-diamine

Database IDs

• MDL Number: MFCD20702380
• PubChem SID: 164303796
• PubChem CID: 21995030

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.10232023
• LogD (pH = 7.4): -0.0014017207
• Log P: 5.1376668E-5
• Molar Refractivity: 48.3852 cm^3
• Polarizability: 17.655405 Å^3
• Polar Surface Area: 70.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.24

Product Information

• Purity: 95%