6-N-methylquinoxaline-5,6-diamine

• ChemBase ID: 160244
• Molecular Formular: C9H10N4
• Molecular Mass: 174.2025
• Monoisotopic Mass: 174.09054634
• SMILES: c1cnc2c(n1)c(c(cc2)NC)N
• Canonical SMILES: CNc1ccc2c(c1N)nccn2
• InChI: InChI=1S/C9H10N4/c1-11-6-2-3-7-9(8(6)10)13-5-4-12-7/h2-5,11H,10H2,1H3
• InChIKey: ZKYWREIEORYBJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-N-methylquinoxaline-5,6-diamine
• IUPAC Traditional name: 6-N-methylquinoxaline-5,6-diamine
• Synonyms: 5-Amino-6-methylaminoquinoxaline Dihydrochloride Salt

Database IDs

• PubChem SID: 162254379
• PubChem CID: 4121983

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -0.062207825
• LogD (pH = 7.4): -0.05713453
• Log P: -0.057069458
• Molar Refractivity: 52.3446 cm^3
• Polarizability: 20.181736 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 17.362722
• H Acceptors: 4

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Dark Brown Solid