4-ethylbenzene-1,2-diamine

• ChemBase ID: 240961
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1(c(ccc(c1)CC)N)N
• Canonical SMILES: CCc1ccc(c(c1)N)N
• InChI: InChI=1S/C8H12N2/c1-2-6-3-4-7(9)8(10)5-6/h3-5H,2,9-10H2,1H3
• InChIKey: ROJMDQBRKBPHIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylbenzene-1,2-diamine
• IUPAC Traditional name: 4-ethylbenzene-1,2-diamine
• Synonyms: 4-ethylbenzene-1,2-diamine

Database IDs

• MDL Number: MFCD11100997
• PubChem SID: 164296871
• PubChem CID: 12373213

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1660705
• LogD (pH = 7.4): 1.2718518
• Log P: 1.273384
• Molar Refractivity: 45.101 cm^3
• Polarizability: 16.225613 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.116

Product Information

• Purity: 95%