2,3-dimethylquinoxalin-6-amine

• ChemBase ID: 11231
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: n1c2c(nc(c1C)C)ccc(c2)N
• Canonical SMILES: Nc1ccc2c(c1)nc(c(n2)C)C
• InChI: InChI=1S/C10H11N3/c1-6-7(2)13-10-5-8(11)3-4-9(10)12-6/h3-5H,11H2,1-2H3
• InChIKey: QBZGAULXCVZXFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylquinoxalin-6-amine
• IUPAC Traditional name: 2,3-dimethylquinoxalin-6-amine
• Synonyms: 2,3-Dimethylquinoxalin-6-amine; 6-Amino-2,3-dimethylquinoxaline; 2,3-dimethylquinoxalin-6-amine; 2,3-Dimethyl-6-quinoxalinamine

Database IDs

• CAS Number: 7576-88-7
• MDL Number: MFCD01759944
• PubChem SID: 160974538
• PubChem CID: 146053

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7165884
• LogD (pH = 7.4): 0.73268354
• Log P: 0.73289275
• Molar Refractivity: 51.3338 cm^3
• Polarizability: 20.748444 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193 °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%
• Empirical Formula (Hill Notation): C10H11N3

DETAILS

Sigma Aldrich - CBR00515

Other Notes
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Legal Information
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