4-[ethyl(methyl)amino]benzene-1-carboximidamide

• ChemBase ID: 238830
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: C(=N)(c1ccc(N(CC)C)cc1)N
• Canonical SMILES: CCN(c1ccc(cc1)C(=N)N)C
• InChI: InChI=1S/C10H15N3/c1-3-13(2)9-6-4-8(5-7-9)10(11)12/h4-7H,3H2,1-2H3,(H3,11,12)
• InChIKey: AASPYQTZAUYOJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[ethyl(methyl)amino]benzene-1-carboximidamide
• IUPAC Traditional name: 4-[ethyl(methyl)amino]benzenecarboximidamide
• Synonyms: 4-[ethyl(methyl)amino]benzene-1-carboximidamide

Database IDs

• MDL Number: MFCD11623025
• PubChem SID: 164294740
• PubChem CID: 43263484

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0589465
• LogD (pH = 7.4): -1.0560545
• Log P: 1.358566
• Molar Refractivity: 66.9077 cm^3
• Polarizability: 20.689442 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.4

Product Information

• Purity: 95%