4-ethoxybenzene-1,2-diamine

• ChemBase ID: 293983
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: Nc1ccc(OCC)cc1N
• Canonical SMILES: CCOc1ccc(c(c1)N)N
• InChI: InChI=1S/C8H12N2O/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5H,2,9-10H2,1H3
• InChIKey: KLLREYQZEOLXHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxybenzene-1,2-diamine
• IUPAC Traditional name: 1,2-benzenediamine, 4-ethoxy-
• Synonyms: 4-Ethoxybenzene-1,2-diamine

Database IDs

• CAS Number: 1197-37-1
• PubChem SID: 180679514
• PubChem CID: 14532

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.40680277
• LogD (pH = 7.4): 0.51299167
• Log P: 0.5145306
• Molar Refractivity: 46.6706 cm^3
• Polarizability: 16.965544 Å^3
• Polar Surface Area: 61.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%